N,N-dimethyl-8-pentylpentadec-9-en-6-amine

C22H45N — CID 170848028

IUPACN,N-dimethyl-8-pentylpentadec-9-en-6-amine
SMILESCCCCCC=CC(CCCCC)CC(CCCCC)N(C)C
InChIInChI=1S/C22H45N/c1-6-9-12-13-16-18-21(17-14-10-7-2)20-22(23(4)5)19-15-11-8-3/h16,18,21-22H,6-15,17,19-20H2,1-5H3
InChIKeyMJILSSATQDUNKN-UHFFFAOYSA-N
MW323.61 g/mol
LogP7.22
Rot. Bonds16

About N,N-dimethyl-8-pentylpentadec-9-en-6-amine

N,N-dimethyl-8-pentylpentadec-9-en-6-amine (PubChem CID 170848028) has the molecular formula C22H45N and a molecular weight of 323.61 g/mol. Its IUPAC name is N,N-dimethyl-8-pentylpentadec-9-en-6-amine.

Molecular Properties

Compound NameN,N-dimethyl-8-pentylpentadec-9-en-6-amine
PubChem CID170848028
Molecular FormulaC22H45N
Molecular Weight323.61 g/mol
Exact Mass323.36
IUPAC NameN,N-dimethyl-8-pentylpentadec-9-en-6-amine
SMILESCCCCCC=CC(CCCCC)CC(CCCCC)N(C)C
InChIInChI=1S/C22H45N/c1-6-9-12-13-16-18-21(17-14-10-7-2)20-22(23(4)5)19-15-11-8-3/h16,18,21-22H,6-15,17,19-20H2,1-5H3
InChIKeyMJILSSATQDUNKN-UHFFFAOYSA-N
XLogP7.22
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds16
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.61
LogP ≤ 57.22
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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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-8-pentylpentadec-9-en-6-amine?
The IUPAC name of N,N-dimethyl-8-pentylpentadec-9-en-6-amine (CID 170848028) is N,N-dimethyl-8-pentylpentadec-9-en-6-amine.
What is the SMILES notation for N,N-dimethyl-8-pentylpentadec-9-en-6-amine?
The canonical SMILES for N,N-dimethyl-8-pentylpentadec-9-en-6-amine is CCCCCC=CC(CCCCC)CC(CCCCC)N(C)C.
What is the InChIKey of N,N-dimethyl-8-pentylpentadec-9-en-6-amine?
The InChIKey is MJILSSATQDUNKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H45N/c1-6-9-12-13-16-18-21(17-14-10-7-2)20-22(23(4)5)19-15-11-8-3/h16,18,21-22H,6-15,17,19-20H2,1-5H3.
What are the key properties of N,N-dimethyl-8-pentylpentadec-9-en-6-amine?
N,N-dimethyl-8-pentylpentadec-9-en-6-amine has a molecular weight of 323.61 g/mol, XLogP of 7.22, 16 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-8-pentylpentadec-9-en-6-amine is sourced from PubChem (CID 170848028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).