N-methyl-N-oct-1-enyloct-1-en-1-amine

C17H33N — CID 74019016

IUPACN-methyl-N-oct-1-enyloct-1-en-1-amine
SMILESCCCCCCC=CN(C)C=CCCCCCC
InChIInChI=1S/C17H33N/c1-4-6-8-10-12-14-16-18(3)17-15-13-11-9-7-5-2/h14-17H,4-13H2,1-3H3
InChIKeyWTFJDYRGAWBCNS-UHFFFAOYSA-N
MW251.46 g/mol
LogP5.89
Rot. Bonds12

About N-methyl-N-oct-1-enyloct-1-en-1-amine

N-methyl-N-oct-1-enyloct-1-en-1-amine (PubChem CID 74019016) has the molecular formula C17H33N and a molecular weight of 251.46 g/mol. Its IUPAC name is N-methyl-N-oct-1-enyloct-1-en-1-amine.

Molecular Properties

Compound NameN-methyl-N-oct-1-enyloct-1-en-1-amine
PubChem CID74019016
Molecular FormulaC17H33N
Molecular Weight251.46 g/mol
Exact Mass251.26
IUPAC NameN-methyl-N-oct-1-enyloct-1-en-1-amine
SMILESCCCCCCC=CN(C)C=CCCCCCC
InChIInChI=1S/C17H33N/c1-4-6-8-10-12-14-16-18(3)17-15-13-11-9-7-5-2/h14-17H,4-13H2,1-3H3
InChIKeyWTFJDYRGAWBCNS-UHFFFAOYSA-N
XLogP5.89
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500251.46
LogP ≤ 55.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(E)-N,N-dimethylpentadec-1-en-1-amine
CID 22930940
N,N-dimethyloct-1-en-1-amine
CID 54004302
N,N-dimethyltetradec-1-en-1-amine;propane
CID 173220262
(E)-N-ethyl-N-methyldec-1-en-1-amine
CID 14389662
N,N-diethyltetradec-1-en-1-amine
CID 54402906
(24Z)-hexatriaconta-9,24-diene
CID 173127472
(E)-hexacos-10-ene
CID 22172169
(Z)-docos-9-ene
CID 11690102
(E)-hexadec-6-ene
CID 5352260
(E)-nonacos-10-ene
CID 14367300
tetratriacont-8-ene
CID 123670593
(E)-icos-10-ene
CID 10468895

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-oct-1-enyloct-1-en-1-amine?
The IUPAC name of N-methyl-N-oct-1-enyloct-1-en-1-amine (CID 74019016) is N-methyl-N-oct-1-enyloct-1-en-1-amine.
What is the SMILES notation for N-methyl-N-oct-1-enyloct-1-en-1-amine?
The canonical SMILES for N-methyl-N-oct-1-enyloct-1-en-1-amine is CCCCCCC=CN(C)C=CCCCCCC.
What is the InChIKey of N-methyl-N-oct-1-enyloct-1-en-1-amine?
The InChIKey is WTFJDYRGAWBCNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N/c1-4-6-8-10-12-14-16-18(3)17-15-13-11-9-7-5-2/h14-17H,4-13H2,1-3H3.
What are the key properties of N-methyl-N-oct-1-enyloct-1-en-1-amine?
N-methyl-N-oct-1-enyloct-1-en-1-amine has a molecular weight of 251.46 g/mol, XLogP of 5.89, 12 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-enyloct-1-en-1-amine is sourced from PubChem (CID 74019016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).