N-benzyl-N-prop-2-enyldodecan-1-amine

C22H37N — CID 67899805

IUPACN-benzyl-N-prop-2-enyldodecan-1-amine
SMILESC=CCN(CCCCCCCCCCCC)Cc1ccccc1
InChIInChI=1S/C22H37N/c1-3-5-6-7-8-9-10-11-12-16-20-23(19-4-2)21-22-17-14-13-15-18-22/h4,13-15,17-18H,2-3,5-12,16,19-21H2,1H3
InChIKeyKUWQHTJLKIQXQU-UHFFFAOYSA-N
MW315.55 g/mol
LogP6.60
Rot. Bonds15

About N-benzyl-N-prop-2-enyldodecan-1-amine

N-benzyl-N-prop-2-enyldodecan-1-amine (PubChem CID 67899805) has the molecular formula C22H37N and a molecular weight of 315.55 g/mol. Its IUPAC name is N-benzyl-N-prop-2-enyldodecan-1-amine.

Molecular Properties

Compound NameN-benzyl-N-prop-2-enyldodecan-1-amine
PubChem CID67899805
Molecular FormulaC22H37N
Molecular Weight315.55 g/mol
Exact Mass315.29
IUPAC NameN-benzyl-N-prop-2-enyldodecan-1-amine
SMILESC=CCN(CCCCCCCCCCCC)Cc1ccccc1
InChIInChI=1S/C22H37N/c1-3-5-6-7-8-9-10-11-12-16-20-23(19-4-2)21-22-17-14-13-15-18-22/h4,13-15,17-18H,2-3,5-12,16,19-21H2,1H3
InChIKeyKUWQHTJLKIQXQU-UHFFFAOYSA-N
XLogP6.60
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500315.55
LogP ≤ 56.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N,N-dibenzyldodecan-1-amine
CID 11508874
N,N-dibenzylnonan-1-amine;hydrochloride
CID 173190892
N-benzyl-N-propylhexan-1-amine
CID 123983090
N-benzyl-N-(4-bromobutyl)octadecan-1-amine
CID 173422104
N-benzyl-N-ethylprop-2-en-1-amine;hydrochloride
CID 173066031
2-[benzyl(nonyl)amino]ethanol
CID 63469962
N'-benzyl-N'-hexadecylethane-1,2-diamine
CID 22067437
N,N-dibenzyl-1-phenylmethanamine;hexane
CID 174855522
N,N-bis(prop-2-enyl)undecan-1-amine
CID 10156078
N-benzyl-N-prop-2-enylpent-4-yn-1-amine
CID 102338233
N-benzyl-N-(2-bromoethyl)pentan-1-amine
CID 80679687
N,N-bis(prop-2-enyl)octadecan-1-amine;hydrochloride
CID 88725807

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-prop-2-enyldodecan-1-amine?
The IUPAC name of N-benzyl-N-prop-2-enyldodecan-1-amine (CID 67899805) is N-benzyl-N-prop-2-enyldodecan-1-amine.
What is the SMILES notation for N-benzyl-N-prop-2-enyldodecan-1-amine?
The canonical SMILES for N-benzyl-N-prop-2-enyldodecan-1-amine is C=CCN(CCCCCCCCCCCC)Cc1ccccc1.
What is the InChIKey of N-benzyl-N-prop-2-enyldodecan-1-amine?
The InChIKey is KUWQHTJLKIQXQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H37N/c1-3-5-6-7-8-9-10-11-12-16-20-23(19-4-2)21-22-17-14-13-15-18-22/h4,13-15,17-18H,2-3,5-12,16,19-21H2,1H3.
What are the key properties of N-benzyl-N-prop-2-enyldodecan-1-amine?
N-benzyl-N-prop-2-enyldodecan-1-amine has a molecular weight of 315.55 g/mol, XLogP of 6.60, 15 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-prop-2-enyldodecan-1-amine is sourced from PubChem (CID 67899805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).