(E)-N,N,3,7,11,15-hexamethylhexadec-1-en-1-amine

C22H45N — CID 57171092

IUPAC(E)-N,N,3,7,11,15-hexamethylhexadec-1-en-1-amine
SMILESCC(C)CCCC(C)CCCC(C)CCCC(C)/C=C/N(C)C
InChIInChI=1S/C22H45N/c1-19(2)11-8-12-20(3)13-9-14-21(4)15-10-16-22(5)17-18-23(6)7/h17-22H,8-16H2,1-7H3/b18-17+
InChIKeyOLZFWWHGMCJQMV-ISLYRVAYSA-N
MW323.61 g/mol
LogP7.14
Rot. Bonds14

About (E)-N,N,3,7,11,15-hexamethylhexadec-1-en-1-amine

(E)-N,N,3,7,11,15-hexamethylhexadec-1-en-1-amine (PubChem CID 57171092) has the molecular formula C22H45N and a molecular weight of 323.61 g/mol. Its IUPAC name is (E)-N,N,3,7,11,15-hexamethylhexadec-1-en-1-amine.

Molecular Properties

Compound Name(E)-N,N,3,7,11,15-hexamethylhexadec-1-en-1-amine
PubChem CID57171092
Molecular FormulaC22H45N
Molecular Weight323.61 g/mol
Exact Mass323.36
IUPAC Name(E)-N,N,3,7,11,15-hexamethylhexadec-1-en-1-amine
SMILESCC(C)CCCC(C)CCCC(C)CCCC(C)/C=C/N(C)C
InChIInChI=1S/C22H45N/c1-19(2)11-8-12-20(3)13-9-14-21(4)15-10-16-22(5)17-18-23(6)7/h17-22H,8-16H2,1-7H3/b18-17+
InChIKeyOLZFWWHGMCJQMV-ISLYRVAYSA-N
XLogP7.14
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.61
LogP ≤ 57.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (E)-N,N,3,7,11,15-hexamethylhexadec-1-en-1-amine?
The IUPAC name of (E)-N,N,3,7,11,15-hexamethylhexadec-1-en-1-amine (CID 57171092) is (E)-N,N,3,7,11,15-hexamethylhexadec-1-en-1-amine.
What is the SMILES notation for (E)-N,N,3,7,11,15-hexamethylhexadec-1-en-1-amine?
The canonical SMILES for (E)-N,N,3,7,11,15-hexamethylhexadec-1-en-1-amine is CC(C)CCCC(C)CCCC(C)CCCC(C)/C=C/N(C)C.
What is the InChIKey of (E)-N,N,3,7,11,15-hexamethylhexadec-1-en-1-amine?
The InChIKey is OLZFWWHGMCJQMV-ISLYRVAYSA-N. The full InChI is InChI=1S/C22H45N/c1-19(2)11-8-12-20(3)13-9-14-21(4)15-10-16-22(5)17-18-23(6)7/h17-22H,8-16H2,1-7H3/b18-17+.
What are the key properties of (E)-N,N,3,7,11,15-hexamethylhexadec-1-en-1-amine?
(E)-N,N,3,7,11,15-hexamethylhexadec-1-en-1-amine has a molecular weight of 323.61 g/mol, XLogP of 7.14, 14 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N,N,3,7,11,15-hexamethylhexadec-1-en-1-amine is sourced from PubChem (CID 57171092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).