(1R)-N-benzyl-1-naphthalen-1-ylethanamine;3-(3-methylcyclohexyl)-N-[(1R)-1-naphthalen-1-ylethyl]propan-1-amine;3-(3-methylphenyl)-N-[(1R)-1-naphthalen-1-ylethyl]propan-1-amine;(E)-3-(3-methylphenyl)-N-[(1R)-1-naphthalen-1-ylethyl]prop-2-en-1-amine

C85H98N4 — CID 159716794

IUPAC(1R)-N-benzyl-1-naphthalen-1-ylethanamine;3-(3-methylcyclohexyl)-N-[(1R)-1-naphthalen-1-ylethyl]propan-1-amine;3-(3-methylphenyl)-N-[(1R)-1-naphthalen-1-ylethyl]propan-1-amine;(E)-3-(3-methylphenyl)-N-[(1R)-1-naphthalen-1-ylethyl]prop-2-en-1-amine
SMILESCC1CCCC(CCCN[C@H](C)c2cccc3ccccc23)C1.C[C@@H](NCc1ccccc1)c1cccc2ccccc12.Cc1cccc(/C=C/CN[C@H](C)c2cccc3ccccc23)c1.Cc1cccc(CCCN[C@H](C)c2cccc3ccccc23)c1
InChIInChI=1S/C22H31N.C22H25N.C22H23N.C19H19N/c3*1-17-8-5-9-19(16-17)10-7-15-23-18(2)21-14-6-12-20-11-3-4-13-22(20)21;1-15(20-14-16-8-3-2-4-9-16)18-13-7-11-17-10-5-6-12-19(17)18/h3-4,6,11-14,17-19,23H,5,7-10,15-16H2,1-2H3;3-6,8-9,11-14,16,18,23H,7,10,15H2,1-2H3;3-14,16,18,23H,15H2,1-2H3;2-13,15,20H,14H2,1H3/b;;10-7+;/t17?,18-,19?;2*18-;15-/m1111/s1
InChIKeyMZNNPZRJRSFCOK-QEPMRQFLSA-N
MW1175.75 g/mol
LogP21.73
Rot. Bonds21

About (1R)-N-benzyl-1-naphthalen-1-ylethanamine;3-(3-methylcyclohexyl)-N-[(1R)-1-naphthalen-1-ylethyl]propan-1-amine;3-(3-methylphenyl)-N-[(1R)-1-naphthalen-1-ylethyl]propan-1-amine;(E)-3-(3-methylphenyl)-N-[(1R)-1-naphthalen-1-ylethyl]prop-2-en-1-amine

(1R)-N-benzyl-1-naphthalen-1-ylethanamine;3-(3-methylcyclohexyl)-N-[(1R)-1-naphthalen-1-ylethyl]propan-1-amine;3-(3-methylphenyl)-N-[(1R)-1-naphthalen-1-ylethyl]propan-1-amine;(E)-3-(3-methylphenyl)-N-[(1R)-1-naphthalen-1-ylethyl]prop-2-en-1-amine (PubChem CID 159716794) has the molecular formula C85H98N4 and a molecular weight of 1175.75 g/mol. Its IUPAC name is (1R)-N-benzyl-1-naphthalen-1-ylethanamine;3-(3-methylcyclohexyl)-N-[(1R)-1-naphthalen-1-ylethyl]propan-1-amine;3-(3-methylphenyl)-N-[(1R)-1-naphthalen-1-ylethyl]propan-1-amine;(E)-3-(3-methylphenyl)-N-[(1R)-1-naphthalen-1-ylethyl]prop-2-en-1-amine.

Molecular Properties

Compound Name(1R)-N-benzyl-1-naphthalen-1-ylethanamine;3-(3-methylcyclohexyl)-N-[(1R)-1-naphthalen-1-ylethyl]propan-1-amine;3-(3-methylphenyl)-N-[(1R)-1-naphthalen-1-ylethyl]propan-1-amine;(E)-3-(3-methylphenyl)-N-[(1R)-1-naphthalen-1-ylethyl]prop-2-en-1-amine
PubChem CID159716794
Molecular FormulaC85H98N4
Molecular Weight1175.75 g/mol
Exact Mass1174.78
IUPAC Name(1R)-N-benzyl-1-naphthalen-1-ylethanamine;3-(3-methylcyclohexyl)-N-[(1R)-1-naphthalen-1-ylethyl]propan-1-amine;3-(3-methylphenyl)-N-[(1R)-1-naphthalen-1-ylethyl]propan-1-amine;(E)-3-(3-methylphenyl)-N-[(1R)-1-naphthalen-1-ylethyl]prop-2-en-1-amine
SMILESCC1CCCC(CCCN[C@H](C)c2cccc3ccccc23)C1.C[C@@H](NCc1ccccc1)c1cccc2ccccc12.Cc1cccc(/C=C/CN[C@H](C)c2cccc3ccccc23)c1.Cc1cccc(CCCN[C@H](C)c2cccc3ccccc23)c1
InChIInChI=1S/C22H31N.C22H25N.C22H23N.C19H19N/c3*1-17-8-5-9-19(16-17)10-7-15-23-18(2)21-14-6-12-20-11-3-4-13-22(20)21;1-15(20-14-16-8-3-2-4-9-16)18-13-7-11-17-10-5-6-12-19(17)18/h3-4,6,11-14,17-19,23H,5,7-10,15-16H2,1-2H3;3-6,8-9,11-14,16,18,23H,7,10,15H2,1-2H3;3-14,16,18,23H,15H2,1-2H3;2-13,15,20H,14H2,1H3/b;;10-7+;/t17?,18-,19?;2*18-;15-/m1111/s1
InChIKeyMZNNPZRJRSFCOK-QEPMRQFLSA-N
XLogP21.73
TPSA48.12 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds21
Heavy Atoms89
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001175.75
LogP ≤ 521.73
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze (1R)-N-benzyl-1-naphthalen-1-ylethanamine;3-(3-methylcyclohexyl)-N-[(1R)-1-naphthalen-1-ylethyl]propan-1-amine;3-(3-methylphenyl)-N-[(1R)-1-naphthalen-1-ylethyl]propan-1-amine;(E)-3-(3-methylphenyl)-N-[(1R)-1-naphthalen-1-ylethyl]prop-2-en-1-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1R)-N-benzyl-1-naphthalen-1-ylethanamine;3-(3-methylcyclohexyl)-N-[(1R)-1-naphthalen-1-ylethyl]propan-1-amine;3-(3-methylphenyl)-N-[(1R)-1-naphthalen-1-ylethyl]propan-1-amine;(E)-3-(3-methylphenyl)-N-[(1R)-1-naphthalen-1-ylethyl]prop-2-en-1-amine?
The IUPAC name of (1R)-N-benzyl-1-naphthalen-1-ylethanamine;3-(3-methylcyclohexyl)-N-[(1R)-1-naphthalen-1-ylethyl]propan-1-amine;3-(3-methylphenyl)-N-[(1R)-1-naphthalen-1-ylethyl]propan-1-amine;(E)-3-(3-methylphenyl)-N-[(1R)-1-naphthalen-1-ylethyl]prop-2-en-1-amine (CID 159716794) is (1R)-N-benzyl-1-naphthalen-1-ylethanamine;3-(3-methylcyclohexyl)-N-[(1R)-1-naphthalen-1-ylethyl]propan-1-amine;3-(3-methylphenyl)-N-[(1R)-1-naphthalen-1-ylethyl]propan-1-amine;(E)-3-(3-methylphenyl)-N-[(1R)-1-naphthalen-1-ylethyl]prop-2-en-1-amine.
What is the SMILES notation for (1R)-N-benzyl-1-naphthalen-1-ylethanamine;3-(3-methylcyclohexyl)-N-[(1R)-1-naphthalen-1-ylethyl]propan-1-amine;3-(3-methylphenyl)-N-[(1R)-1-naphthalen-1-ylethyl]propan-1-amine;(E)-3-(3-methylphenyl)-N-[(1R)-1-naphthalen-1-ylethyl]prop-2-en-1-amine?
The canonical SMILES for (1R)-N-benzyl-1-naphthalen-1-ylethanamine;3-(3-methylcyclohexyl)-N-[(1R)-1-naphthalen-1-ylethyl]propan-1-amine;3-(3-methylphenyl)-N-[(1R)-1-naphthalen-1-ylethyl]propan-1-amine;(E)-3-(3-methylphenyl)-N-[(1R)-1-naphthalen-1-ylethyl]prop-2-en-1-amine is CC1CCCC(CCCN[C@H](C)c2cccc3ccccc23)C1.C[C@@H](NCc1ccccc1)c1cccc2ccccc12.Cc1cccc(/C=C/CN[C@H](C)c2cccc3ccccc23)c1.Cc1cccc(CCCN[C@H](C)c2cccc3ccccc23)c1.
What is the InChIKey of (1R)-N-benzyl-1-naphthalen-1-ylethanamine;3-(3-methylcyclohexyl)-N-[(1R)-1-naphthalen-1-ylethyl]propan-1-amine;3-(3-methylphenyl)-N-[(1R)-1-naphthalen-1-ylethyl]propan-1-amine;(E)-3-(3-methylphenyl)-N-[(1R)-1-naphthalen-1-ylethyl]prop-2-en-1-amine?
The InChIKey is MZNNPZRJRSFCOK-QEPMRQFLSA-N. The full InChI is InChI=1S/C22H31N.C22H25N.C22H23N.C19H19N/c3*1-17-8-5-9-19(16-17)10-7-15-23-18(2)21-14-6-12-20-11-3-4-13-22(20)21;1-15(20-14-16-8-3-2-4-9-16)18-13-7-11-17-10-5-6-12-19(17)18/h3-4,6,11-14,17-19,23H,5,7-10,15-16H2,1-2H3;3-6,8-9,11-14,16,18,23H,7,10,15H2,1-2H3;3-14,16,18,23H,15H2,1-2H3;2-13,15,20H,14H2,1H3/b;;10-7+;/t17?,18-,19?;2*18-;15-/m1111/s1.
What are the key properties of (1R)-N-benzyl-1-naphthalen-1-ylethanamine;3-(3-methylcyclohexyl)-N-[(1R)-1-naphthalen-1-ylethyl]propan-1-amine;3-(3-methylphenyl)-N-[(1R)-1-naphthalen-1-ylethyl]propan-1-amine;(E)-3-(3-methylphenyl)-N-[(1R)-1-naphthalen-1-ylethyl]prop-2-en-1-amine?
(1R)-N-benzyl-1-naphthalen-1-ylethanamine;3-(3-methylcyclohexyl)-N-[(1R)-1-naphthalen-1-ylethyl]propan-1-amine;3-(3-methylphenyl)-N-[(1R)-1-naphthalen-1-ylethyl]propan-1-amine;(E)-3-(3-methylphenyl)-N-[(1R)-1-naphthalen-1-ylethyl]prop-2-en-1-amine has a molecular weight of 1175.75 g/mol, XLogP of 21.73, 21 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-benzyl-1-naphthalen-1-ylethanamine;3-(3-methylcyclohexyl)-N-[(1R)-1-naphthalen-1-ylethyl]propan-1-amine;3-(3-methylphenyl)-N-[(1R)-1-naphthalen-1-ylethyl]propan-1-amine;(E)-3-(3-methylphenyl)-N-[(1R)-1-naphthalen-1-ylethyl]prop-2-en-1-amine is sourced from PubChem (CID 159716794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).