N-[(3-methyl-1-phenylmethoxycyclohexyl)methyl]propan-1-amine

C18H29NO — CID 63473709

IUPACN-[(3-methyl-1-phenylmethoxycyclohexyl)methyl]propan-1-amine
SMILESCCCNCC1(OCc2ccccc2)CCCC(C)C1
InChIInChI=1S/C18H29NO/c1-3-12-19-15-18(11-7-8-16(2)13-18)20-14-17-9-5-4-6-10-17/h4-6,9-10,16,19H,3,7-8,11-15H2,1-2H3
InChIKeyDCBMTSPGBUJWOL-UHFFFAOYSA-N
MW275.44 g/mol
LogP4.15
Rot. Bonds7

About N-[(3-methyl-1-phenylmethoxycyclohexyl)methyl]propan-1-amine

N-[(3-methyl-1-phenylmethoxycyclohexyl)methyl]propan-1-amine (PubChem CID 63473709) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is N-[(3-methyl-1-phenylmethoxycyclohexyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(3-methyl-1-phenylmethoxycyclohexyl)methyl]propan-1-amine
PubChem CID63473709
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC NameN-[(3-methyl-1-phenylmethoxycyclohexyl)methyl]propan-1-amine
SMILESCCCNCC1(OCc2ccccc2)CCCC(C)C1
InChIInChI=1S/C18H29NO/c1-3-12-19-15-18(11-7-8-16(2)13-18)20-14-17-9-5-4-6-10-17/h4-6,9-10,16,19H,3,7-8,11-15H2,1-2H3
InChIKeyDCBMTSPGBUJWOL-UHFFFAOYSA-N
XLogP4.15
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(3-methyl-1-phenylmethoxycyclohexyl)methyl]propan-1-amine?
The IUPAC name of N-[(3-methyl-1-phenylmethoxycyclohexyl)methyl]propan-1-amine (CID 63473709) is N-[(3-methyl-1-phenylmethoxycyclohexyl)methyl]propan-1-amine.
What is the SMILES notation for N-[(3-methyl-1-phenylmethoxycyclohexyl)methyl]propan-1-amine?
The canonical SMILES for N-[(3-methyl-1-phenylmethoxycyclohexyl)methyl]propan-1-amine is CCCNCC1(OCc2ccccc2)CCCC(C)C1.
What is the InChIKey of N-[(3-methyl-1-phenylmethoxycyclohexyl)methyl]propan-1-amine?
The InChIKey is DCBMTSPGBUJWOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c1-3-12-19-15-18(11-7-8-16(2)13-18)20-14-17-9-5-4-6-10-17/h4-6,9-10,16,19H,3,7-8,11-15H2,1-2H3.
What are the key properties of N-[(3-methyl-1-phenylmethoxycyclohexyl)methyl]propan-1-amine?
N-[(3-methyl-1-phenylmethoxycyclohexyl)methyl]propan-1-amine has a molecular weight of 275.44 g/mol, XLogP of 4.15, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methyl-1-phenylmethoxycyclohexyl)methyl]propan-1-amine is sourced from PubChem (CID 63473709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).