N-methyl-N-oct-1-enylnon-2-en-1-amine

C18H35N — CID 175378842

IUPACN-methyl-N-oct-1-enylnon-2-en-1-amine
SMILESCCCCCCC=CCN(C)C=CCCCCCC
InChIInChI=1S/C18H35N/c1-4-6-8-10-12-14-16-18-19(3)17-15-13-11-9-7-5-2/h14-17H,4-13,18H2,1-3H3
InChIKeyJNQJEMLEILPONP-UHFFFAOYSA-N
MW265.49 g/mol
LogP5.93
Rot. Bonds13

About N-methyl-N-oct-1-enylnon-2-en-1-amine

N-methyl-N-oct-1-enylnon-2-en-1-amine (PubChem CID 175378842) has the molecular formula C18H35N and a molecular weight of 265.49 g/mol. Its IUPAC name is N-methyl-N-oct-1-enylnon-2-en-1-amine.

Molecular Properties

Compound NameN-methyl-N-oct-1-enylnon-2-en-1-amine
PubChem CID175378842
Molecular FormulaC18H35N
Molecular Weight265.49 g/mol
Exact Mass265.28
IUPAC NameN-methyl-N-oct-1-enylnon-2-en-1-amine
SMILESCCCCCCC=CCN(C)C=CCCCCCC
InChIInChI=1S/C18H35N/c1-4-6-8-10-12-14-16-18-19(3)17-15-13-11-9-7-5-2/h14-17H,4-13,18H2,1-3H3
InChIKeyJNQJEMLEILPONP-UHFFFAOYSA-N
XLogP5.93
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500265.49
LogP ≤ 55.93
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

(E)-N-ethyl-N-methyldec-1-en-1-amine
CID 14389662
N-methyl-N-[(E)-pentadec-2-enyl]formamide
CID 121306688
N-[(E)-hexadec-2-enyl]-N-methylformamide
CID 118030355
N,N-dimethyltricos-2-en-1-amine;hydrochloride
CID 175358595
N,N-dimethylhenicos-2-en-1-amine;hydrochloride
CID 175055177
N,N-dimethyloct-1-en-1-amine
CID 54004302
(E)-N,N-dimethylpentadec-1-en-1-amine
CID 22930940
N-methyl-N-oct-1-enyloct-1-en-1-amine
CID 74019016
(E)-hexadec-6-ene
CID 5352260
(Z)-docos-9-ene
CID 11690102
(E)-nonacos-10-ene
CID 14367300
nonacos-7-ene
CID 71381021

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-oct-1-enylnon-2-en-1-amine?
The IUPAC name of N-methyl-N-oct-1-enylnon-2-en-1-amine (CID 175378842) is N-methyl-N-oct-1-enylnon-2-en-1-amine.
What is the SMILES notation for N-methyl-N-oct-1-enylnon-2-en-1-amine?
The canonical SMILES for N-methyl-N-oct-1-enylnon-2-en-1-amine is CCCCCCC=CCN(C)C=CCCCCCC.
What is the InChIKey of N-methyl-N-oct-1-enylnon-2-en-1-amine?
The InChIKey is JNQJEMLEILPONP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35N/c1-4-6-8-10-12-14-16-18-19(3)17-15-13-11-9-7-5-2/h14-17H,4-13,18H2,1-3H3.
What are the key properties of N-methyl-N-oct-1-enylnon-2-en-1-amine?
N-methyl-N-oct-1-enylnon-2-en-1-amine has a molecular weight of 265.49 g/mol, XLogP of 5.93, 13 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-oct-1-enylnon-2-en-1-amine is sourced from PubChem (CID 175378842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).