N-benzyl-N-(cyclohexa-1,5-dien-1-ylmethyl)-3,3-dimethyloctan-1-amine

C24H37N — CID 167079901

IUPACN-benzyl-N-(cyclohexa-1,5-dien-1-ylmethyl)-3,3-dimethyloctan-1-amine
SMILESCCCCCC(C)(C)CCN(CC1=CCCC=C1)Cc1ccccc1
InChIInChI=1S/C24H37N/c1-4-5-12-17-24(2,3)18-19-25(20-22-13-8-6-9-14-22)21-23-15-10-7-11-16-23/h6,8-10,13-16H,4-5,7,11-12,17-21H2,1-3H3
InChIKeyVAFQOJNAPPAIRH-UHFFFAOYSA-N
MW339.57 g/mol
LogP6.76
Rot. Bonds11

About N-benzyl-N-(cyclohexa-1,5-dien-1-ylmethyl)-3,3-dimethyloctan-1-amine

N-benzyl-N-(cyclohexa-1,5-dien-1-ylmethyl)-3,3-dimethyloctan-1-amine (PubChem CID 167079901) has the molecular formula C24H37N and a molecular weight of 339.57 g/mol. Its IUPAC name is N-benzyl-N-(cyclohexa-1,5-dien-1-ylmethyl)-3,3-dimethyloctan-1-amine.

Molecular Properties

Compound NameN-benzyl-N-(cyclohexa-1,5-dien-1-ylmethyl)-3,3-dimethyloctan-1-amine
PubChem CID167079901
Molecular FormulaC24H37N
Molecular Weight339.57 g/mol
Exact Mass339.29
IUPAC NameN-benzyl-N-(cyclohexa-1,5-dien-1-ylmethyl)-3,3-dimethyloctan-1-amine
SMILESCCCCCC(C)(C)CCN(CC1=CCCC=C1)Cc1ccccc1
InChIInChI=1S/C24H37N/c1-4-5-12-17-24(2,3)18-19-25(20-22-13-8-6-9-14-22)21-23-15-10-7-11-16-23/h6,8-10,13-16H,4-5,7,11-12,17-21H2,1-3H3
InChIKeyVAFQOJNAPPAIRH-UHFFFAOYSA-N
XLogP6.76
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.57
LogP ≤ 56.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-benzyl-N-(cyclohexa-1,5-dien-1-ylmethyl)-3,3-dimethyloctan-1-amine with MolForge

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Related Compounds

N-benzyl-N-(cyclohexa-1,5-dien-1-ylmethyl)-2-fluoro-2-methylpropan-1-amine
CID 144947537
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CID 11508874
N,N-dibenzyl-1-phenylmethanamine;hexane
CID 174855522
cyclohexa-1,5-dien-1-ylmethylbenzene;ethane
CID 143782404
N,N-dibenzylnonan-1-amine;hydrochloride
CID 173190892
3,3-dimethyltetradecylbenzene
CID 141108755
2-cyclohexa-1,5-dien-1-ylethylbenzene;ethane
CID 143424026
N,N-dibenzylpropan-1-amine
CID 10840212
N-benzyl-N-(2-cyclohexa-1,5-dien-1-ylethyl)-5-(4-phenylbutoxy)pentan-1-amine
CID 57098648
N'-benzyl-N'-ethyl-3,3-dimethylhexane-1,6-diamine
CID 65295960
4-[[(4-aminophenyl)methyl-(cyclohexa-1,5-dien-1-ylmethyl)amino]methyl]aniline
CID 138547605
N-benzyl-N-propylhexan-1-amine
CID 123983090

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-(cyclohexa-1,5-dien-1-ylmethyl)-3,3-dimethyloctan-1-amine?
The IUPAC name of N-benzyl-N-(cyclohexa-1,5-dien-1-ylmethyl)-3,3-dimethyloctan-1-amine (CID 167079901) is N-benzyl-N-(cyclohexa-1,5-dien-1-ylmethyl)-3,3-dimethyloctan-1-amine.
What is the SMILES notation for N-benzyl-N-(cyclohexa-1,5-dien-1-ylmethyl)-3,3-dimethyloctan-1-amine?
The canonical SMILES for N-benzyl-N-(cyclohexa-1,5-dien-1-ylmethyl)-3,3-dimethyloctan-1-amine is CCCCCC(C)(C)CCN(CC1=CCCC=C1)Cc1ccccc1.
What is the InChIKey of N-benzyl-N-(cyclohexa-1,5-dien-1-ylmethyl)-3,3-dimethyloctan-1-amine?
The InChIKey is VAFQOJNAPPAIRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H37N/c1-4-5-12-17-24(2,3)18-19-25(20-22-13-8-6-9-14-22)21-23-15-10-7-11-16-23/h6,8-10,13-16H,4-5,7,11-12,17-21H2,1-3H3.
What are the key properties of N-benzyl-N-(cyclohexa-1,5-dien-1-ylmethyl)-3,3-dimethyloctan-1-amine?
N-benzyl-N-(cyclohexa-1,5-dien-1-ylmethyl)-3,3-dimethyloctan-1-amine has a molecular weight of 339.57 g/mol, XLogP of 6.76, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-(cyclohexa-1,5-dien-1-ylmethyl)-3,3-dimethyloctan-1-amine is sourced from PubChem (CID 167079901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).