17-methyl-N,N-bis(prop-2-enyl)octadecan-1-amine

C25H49N — CID 153323373

IUPAC17-methyl-N,N-bis(prop-2-enyl)octadecan-1-amine
SMILESC=CCN(CC=C)CCCCCCCCCCCCCCCCC(C)C
InChIInChI=1S/C25H49N/c1-5-22-26(23-6-2)24-20-18-16-14-12-10-8-7-9-11-13-15-17-19-21-25(3)4/h5-6,25H,1-2,7-24H2,3-4H3
InChIKeyXNEVQQGCGUXRPV-UHFFFAOYSA-N
MW363.67 g/mol
LogP8.17
Rot. Bonds21

About 17-methyl-N,N-bis(prop-2-enyl)octadecan-1-amine

17-methyl-N,N-bis(prop-2-enyl)octadecan-1-amine (PubChem CID 153323373) has the molecular formula C25H49N and a molecular weight of 363.67 g/mol. Its IUPAC name is 17-methyl-N,N-bis(prop-2-enyl)octadecan-1-amine.

Molecular Properties

Compound Name17-methyl-N,N-bis(prop-2-enyl)octadecan-1-amine
PubChem CID153323373
Molecular FormulaC25H49N
Molecular Weight363.67 g/mol
Exact Mass363.39
IUPAC Name17-methyl-N,N-bis(prop-2-enyl)octadecan-1-amine
SMILESC=CCN(CC=C)CCCCCCCCCCCCCCCCC(C)C
InChIInChI=1S/C25H49N/c1-5-22-26(23-6-2)24-20-18-16-14-12-10-8-7-9-11-13-15-17-19-21-25(3)4/h5-6,25H,1-2,7-24H2,3-4H3
InChIKeyXNEVQQGCGUXRPV-UHFFFAOYSA-N
XLogP8.17
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds21
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.67
LogP ≤ 58.17
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-bis(prop-2-enyl)undecan-1-amine
CID 10156078
N,N-bis(prop-2-enyl)octadecan-1-amine;hydrochloride
CID 88725807
N,N-diethyl-15-methylhexadecan-1-amine
CID 139723585
N,N-diethyl-16-methylheptadecan-1-amine
CID 22925563
N,N-diethyl-7-methyloctan-1-amine
CID 140640735
1-phosphanyl-N,N,N',N'-tetrakis(prop-2-enyl)pentane-1,5-diamine
CID 87749302
N,N-dibutyl-12-methyltridecan-1-amine
CID 139723221
N,N-bis(12-methyltridecyl)heptadecan-1-amine
CID 139722647
N-heptyl-7-methyl-N-(7-methyloctyl)octan-1-amine
CID 139723142
15-methyl-N,N-di(pentadecyl)hexadecan-1-amine
CID 139722859
N-(9-methyldecyl)-N-octadecyloctadecan-1-amine
CID 139722861
N-heptadecyl-N-(11-methyldodecyl)heptadecan-1-amine
CID 139723018

Frequently Asked Questions

What is the IUPAC name of 17-methyl-N,N-bis(prop-2-enyl)octadecan-1-amine?
The IUPAC name of 17-methyl-N,N-bis(prop-2-enyl)octadecan-1-amine (CID 153323373) is 17-methyl-N,N-bis(prop-2-enyl)octadecan-1-amine.
What is the SMILES notation for 17-methyl-N,N-bis(prop-2-enyl)octadecan-1-amine?
The canonical SMILES for 17-methyl-N,N-bis(prop-2-enyl)octadecan-1-amine is C=CCN(CC=C)CCCCCCCCCCCCCCCCC(C)C.
What is the InChIKey of 17-methyl-N,N-bis(prop-2-enyl)octadecan-1-amine?
The InChIKey is XNEVQQGCGUXRPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H49N/c1-5-22-26(23-6-2)24-20-18-16-14-12-10-8-7-9-11-13-15-17-19-21-25(3)4/h5-6,25H,1-2,7-24H2,3-4H3.
What are the key properties of 17-methyl-N,N-bis(prop-2-enyl)octadecan-1-amine?
17-methyl-N,N-bis(prop-2-enyl)octadecan-1-amine has a molecular weight of 363.67 g/mol, XLogP of 8.17, 21 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 17-methyl-N,N-bis(prop-2-enyl)octadecan-1-amine is sourced from PubChem (CID 153323373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).