(2S)-6-methyl-2-[(1R)-4-methylcyclohex-3-en-1-yl]-N-(naphthalen-1-ylmethyl)hept-5-en-2-amine

C26H35N — CID 134147119

IUPAC(2S)-6-methyl-2-[(1R)-4-methylcyclohex-3-en-1-yl]-N-(naphthalen-1-ylmethyl)hept-5-en-2-amine
SMILESCC(C)=CCC[C@](C)(NCc1cccc2ccccc12)[C@H]1CC=C(C)CC1
InChIInChI=1S/C26H35N/c1-20(2)9-8-18-26(4,24-16-14-21(3)15-17-24)27-19-23-12-7-11-22-10-5-6-13-25(22)23/h5-7,9-14,24,27H,8,15-19H2,1-4H3/t24-,26-/m0/s1
InChIKeyOCQUVSKATSNVGW-AHWVRZQESA-N
MW361.57 g/mol
LogP7.18
Rot. Bonds7

About (2S)-6-methyl-2-[(1R)-4-methylcyclohex-3-en-1-yl]-N-(naphthalen-1-ylmethyl)hept-5-en-2-amine

(2S)-6-methyl-2-[(1R)-4-methylcyclohex-3-en-1-yl]-N-(naphthalen-1-ylmethyl)hept-5-en-2-amine (PubChem CID 134147119) has the molecular formula C26H35N and a molecular weight of 361.57 g/mol. Its IUPAC name is (2S)-6-methyl-2-[(1R)-4-methylcyclohex-3-en-1-yl]-N-(naphthalen-1-ylmethyl)hept-5-en-2-amine.

Molecular Properties

Compound Name(2S)-6-methyl-2-[(1R)-4-methylcyclohex-3-en-1-yl]-N-(naphthalen-1-ylmethyl)hept-5-en-2-amine
PubChem CID134147119
Molecular FormulaC26H35N
Molecular Weight361.57 g/mol
Exact Mass361.28
IUPAC Name(2S)-6-methyl-2-[(1R)-4-methylcyclohex-3-en-1-yl]-N-(naphthalen-1-ylmethyl)hept-5-en-2-amine
SMILESCC(C)=CCC[C@](C)(NCc1cccc2ccccc12)[C@H]1CC=C(C)CC1
InChIInChI=1S/C26H35N/c1-20(2)9-8-18-26(4,24-16-14-21(3)15-17-24)27-19-23-12-7-11-22-10-5-6-13-25(22)23/h5-7,9-14,24,27H,8,15-19H2,1-4H3/t24-,26-/m0/s1
InChIKeyOCQUVSKATSNVGW-AHWVRZQESA-N
XLogP7.18
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.57
LogP ≤ 57.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S)-6-methyl-2-[(1R)-4-methylcyclohex-3-en-1-yl]-N-(naphthalen-1-ylmethyl)hept-5-en-2-amine?
The IUPAC name of (2S)-6-methyl-2-[(1R)-4-methylcyclohex-3-en-1-yl]-N-(naphthalen-1-ylmethyl)hept-5-en-2-amine (CID 134147119) is (2S)-6-methyl-2-[(1R)-4-methylcyclohex-3-en-1-yl]-N-(naphthalen-1-ylmethyl)hept-5-en-2-amine.
What is the SMILES notation for (2S)-6-methyl-2-[(1R)-4-methylcyclohex-3-en-1-yl]-N-(naphthalen-1-ylmethyl)hept-5-en-2-amine?
The canonical SMILES for (2S)-6-methyl-2-[(1R)-4-methylcyclohex-3-en-1-yl]-N-(naphthalen-1-ylmethyl)hept-5-en-2-amine is CC(C)=CCC[C@](C)(NCc1cccc2ccccc12)[C@H]1CC=C(C)CC1.
What is the InChIKey of (2S)-6-methyl-2-[(1R)-4-methylcyclohex-3-en-1-yl]-N-(naphthalen-1-ylmethyl)hept-5-en-2-amine?
The InChIKey is OCQUVSKATSNVGW-AHWVRZQESA-N. The full InChI is InChI=1S/C26H35N/c1-20(2)9-8-18-26(4,24-16-14-21(3)15-17-24)27-19-23-12-7-11-22-10-5-6-13-25(22)23/h5-7,9-14,24,27H,8,15-19H2,1-4H3/t24-,26-/m0/s1.
What are the key properties of (2S)-6-methyl-2-[(1R)-4-methylcyclohex-3-en-1-yl]-N-(naphthalen-1-ylmethyl)hept-5-en-2-amine?
(2S)-6-methyl-2-[(1R)-4-methylcyclohex-3-en-1-yl]-N-(naphthalen-1-ylmethyl)hept-5-en-2-amine has a molecular weight of 361.57 g/mol, XLogP of 7.18, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-6-methyl-2-[(1R)-4-methylcyclohex-3-en-1-yl]-N-(naphthalen-1-ylmethyl)hept-5-en-2-amine is sourced from PubChem (CID 134147119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).