N-[(4-ethenylphenyl)methyl]-N-nonylnonan-1-amine

C27H47N — CID 14420661

IUPACN-[(4-ethenylphenyl)methyl]-N-nonylnonan-1-amine
SMILESC=Cc1ccc(CN(CCCCCCCCC)CCCCCCCCC)cc1
InChIInChI=1S/C27H47N/c1-4-7-9-11-13-15-17-23-28(24-18-16-14-12-10-8-5-2)25-27-21-19-26(6-3)20-22-27/h6,19-22H,3-5,7-18,23-25H2,1-2H3
InChIKeySRZXJCPFMBXPSF-UHFFFAOYSA-N
MW385.68 g/mol
LogP8.63
Rot. Bonds19

About N-[(4-ethenylphenyl)methyl]-N-nonylnonan-1-amine

N-[(4-ethenylphenyl)methyl]-N-nonylnonan-1-amine (PubChem CID 14420661) has the molecular formula C27H47N and a molecular weight of 385.68 g/mol. Its IUPAC name is N-[(4-ethenylphenyl)methyl]-N-nonylnonan-1-amine.

Molecular Properties

Compound NameN-[(4-ethenylphenyl)methyl]-N-nonylnonan-1-amine
PubChem CID14420661
Molecular FormulaC27H47N
Molecular Weight385.68 g/mol
Exact Mass385.37
IUPAC NameN-[(4-ethenylphenyl)methyl]-N-nonylnonan-1-amine
SMILESC=Cc1ccc(CN(CCCCCCCCC)CCCCCCCCC)cc1
InChIInChI=1S/C27H47N/c1-4-7-9-11-13-15-17-23-28(24-18-16-14-12-10-8-5-2)25-27-21-19-26(6-3)20-22-27/h6,19-22H,3-5,7-18,23-25H2,1-2H3
InChIKeySRZXJCPFMBXPSF-UHFFFAOYSA-N
XLogP8.63
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds19
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.68
LogP ≤ 58.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-dodecyl-N-[(4-ethenylphenyl)methyl]dodecan-1-amine
CID 14420666
N-[(4-bromophenyl)methyl]-N-undecylundecan-1-amine
CID 6426449
1-ethenyl-4-nonylbenzene;1-ethenyl-4-octylbenzene
CID 22646096
1-ethenyl-4-hexylbenzene
CID 21225742
4-[[pentyl(propyl)amino]methyl]aniline;prop-1-ene
CID 171834524
4-[[hexyl(propyl)amino]methyl]aniline
CID 43383965
N-benzyl-N-prop-2-enyldodecan-1-amine
CID 67899805
N,N-dioctyloctan-1-amine;4-ethenylbenzenesulfonic acid
CID 146593126
N-benzyl-N-propylhexan-1-amine
CID 123983090
N,N-dibenzyldodecan-1-amine
CID 11508874
N,N-dibenzylnonan-1-amine;hydrochloride
CID 173190892
N-benzyl-N-(4-bromobutyl)octadecan-1-amine
CID 173422104

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethenylphenyl)methyl]-N-nonylnonan-1-amine?
The IUPAC name of N-[(4-ethenylphenyl)methyl]-N-nonylnonan-1-amine (CID 14420661) is N-[(4-ethenylphenyl)methyl]-N-nonylnonan-1-amine.
What is the SMILES notation for N-[(4-ethenylphenyl)methyl]-N-nonylnonan-1-amine?
The canonical SMILES for N-[(4-ethenylphenyl)methyl]-N-nonylnonan-1-amine is C=Cc1ccc(CN(CCCCCCCCC)CCCCCCCCC)cc1.
What is the InChIKey of N-[(4-ethenylphenyl)methyl]-N-nonylnonan-1-amine?
The InChIKey is SRZXJCPFMBXPSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H47N/c1-4-7-9-11-13-15-17-23-28(24-18-16-14-12-10-8-5-2)25-27-21-19-26(6-3)20-22-27/h6,19-22H,3-5,7-18,23-25H2,1-2H3.
What are the key properties of N-[(4-ethenylphenyl)methyl]-N-nonylnonan-1-amine?
N-[(4-ethenylphenyl)methyl]-N-nonylnonan-1-amine has a molecular weight of 385.68 g/mol, XLogP of 8.63, 19 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethenylphenyl)methyl]-N-nonylnonan-1-amine is sourced from PubChem (CID 14420661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).