2-benzyl-N,N-dimethyloctadecan-1-amine

C27H49N — CID 67604141

IUPAC2-benzyl-N,N-dimethyloctadecan-1-amine
SMILESCCCCCCCCCCCCCCCCC(Cc1ccccc1)CN(C)C
InChIInChI=1S/C27H49N/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-18-23-27(25-28(2)3)24-26-21-19-17-20-22-26/h17,19-22,27H,4-16,18,23-25H2,1-3H3
InChIKeyVGZCWORVGADVNR-UHFFFAOYSA-N
MW387.70 g/mol
LogP8.28
Rot. Bonds19

About 2-benzyl-N,N-dimethyloctadecan-1-amine

2-benzyl-N,N-dimethyloctadecan-1-amine (PubChem CID 67604141) has the molecular formula C27H49N and a molecular weight of 387.70 g/mol. Its IUPAC name is 2-benzyl-N,N-dimethyloctadecan-1-amine.

Molecular Properties

Compound Name2-benzyl-N,N-dimethyloctadecan-1-amine
PubChem CID67604141
Molecular FormulaC27H49N
Molecular Weight387.70 g/mol
Exact Mass387.39
IUPAC Name2-benzyl-N,N-dimethyloctadecan-1-amine
SMILESCCCCCCCCCCCCCCCCC(Cc1ccccc1)CN(C)C
InChIInChI=1S/C27H49N/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-18-23-27(25-28(2)3)24-26-21-19-17-20-22-26/h17,19-22,27H,4-16,18,23-25H2,1-3H3
InChIKeyVGZCWORVGADVNR-UHFFFAOYSA-N
XLogP8.28
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds19
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.70
LogP ≤ 58.28
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

(2R)-2-benzyl-N,N-dimethylhexan-1-amine
CID 10021640
2-benzyltetradecylbenzene
CID 22920205
2-benzyloctadecan-1-ol
CID 67814123
3-benzylpentadecan-1-ol
CID 174933241
3-benzylheptadecan-1-ol
CID 70425860
2-benzyl-N-methyldecan-1-amine
CID 63498488
6-benzyldecylbenzene
CID 54156815
N,N-dimethyl-1-phenyltricosan-2-amine
CID 18949477
N,N-dimethyl-2-octyldodecan-1-amine
CID 21291112
N,N-dimethyl-2-nonylhenicosan-1-amine
CID 175192311
7-octadecyl-1-phenylpentacosan-2-ol
CID 162497246
2-benzyloctoxymethylbenzene
CID 134979791

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-N,N-dimethyloctadecan-1-amine?
The IUPAC name of 2-benzyl-N,N-dimethyloctadecan-1-amine (CID 67604141) is 2-benzyl-N,N-dimethyloctadecan-1-amine.
What is the SMILES notation for 2-benzyl-N,N-dimethyloctadecan-1-amine?
The canonical SMILES for 2-benzyl-N,N-dimethyloctadecan-1-amine is CCCCCCCCCCCCCCCCC(Cc1ccccc1)CN(C)C.
What is the InChIKey of 2-benzyl-N,N-dimethyloctadecan-1-amine?
The InChIKey is VGZCWORVGADVNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H49N/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-18-23-27(25-28(2)3)24-26-21-19-17-20-22-26/h17,19-22,27H,4-16,18,23-25H2,1-3H3.
What are the key properties of 2-benzyl-N,N-dimethyloctadecan-1-amine?
2-benzyl-N,N-dimethyloctadecan-1-amine has a molecular weight of 387.70 g/mol, XLogP of 8.28, 19 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-N,N-dimethyloctadecan-1-amine is sourced from PubChem (CID 67604141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).