N-methyldodecan-1-amine;octadec-9-enamide

C31H64N2O — CID 173334466

IUPACN-methyldodecan-1-amine;octadec-9-enamide
SMILESCCCCCCCCC=CCCCCCCCC(N)=O.CCCCCCCCCCCCNC
InChIInChI=1S/C18H35NO.C13H29N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;1-3-4-5-6-7-8-9-10-11-12-13-14-2/h9-10H,2-8,11-17H2,1H3,(H2,19,20);14H,3-13H2,1-2H3
InChIKeyIGBVANHYHUEHHE-UHFFFAOYSA-N
MW480.87 g/mol
LogP9.64
Rot. Bonds26

About N-methyldodecan-1-amine;octadec-9-enamide

N-methyldodecan-1-amine;octadec-9-enamide (PubChem CID 173334466) has the molecular formula C31H64N2O and a molecular weight of 480.87 g/mol. Its IUPAC name is N-methyldodecan-1-amine;octadec-9-enamide.

Molecular Properties

Compound NameN-methyldodecan-1-amine;octadec-9-enamide
PubChem CID173334466
Molecular FormulaC31H64N2O
Molecular Weight480.87 g/mol
Exact Mass480.50
IUPAC NameN-methyldodecan-1-amine;octadec-9-enamide
SMILESCCCCCCCCC=CCCCCCCCC(N)=O.CCCCCCCCCCCCNC
InChIInChI=1S/C18H35NO.C13H29N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;1-3-4-5-6-7-8-9-10-11-12-13-14-2/h9-10H,2-8,11-17H2,1H3,(H2,19,20);14H,3-13H2,1-2H3
InChIKeyIGBVANHYHUEHHE-UHFFFAOYSA-N
XLogP9.64
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds26
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.87
LogP ≤ 59.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

octadec-9-enamide
CID 75990485
(Z)-tetratriacont-9-enamide
CID 86624387
(E)-icos-11-enamide
CID 5365373
octadec-8-enamide
CID 57212690
(Z)-tricos-15-enamide
CID 155109212
(Z)-(113C)octadec-9-enamide
CID 175811454
(Z)-octadec-9-enamide;platinum
CID 174872668
(Z)-octadec-9-enamide;hydrobromide
CID 146504042
indigane;(Z)-octadec-9-enamide
CID 174921402
ethanamine;(Z)-octadec-9-enamide
CID 174881781
mercury;(Z)-octadec-9-enamide;hydrochloride
CID 175499195
N-hexylhexadecanamide;(Z)-tetradec-9-enamide
CID 156747366

Frequently Asked Questions

What is the IUPAC name of N-methyldodecan-1-amine;octadec-9-enamide?
The IUPAC name of N-methyldodecan-1-amine;octadec-9-enamide (CID 173334466) is N-methyldodecan-1-amine;octadec-9-enamide.
What is the SMILES notation for N-methyldodecan-1-amine;octadec-9-enamide?
The canonical SMILES for N-methyldodecan-1-amine;octadec-9-enamide is CCCCCCCCC=CCCCCCCCC(N)=O.CCCCCCCCCCCCNC.
What is the InChIKey of N-methyldodecan-1-amine;octadec-9-enamide?
The InChIKey is IGBVANHYHUEHHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35NO.C13H29N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;1-3-4-5-6-7-8-9-10-11-12-13-14-2/h9-10H,2-8,11-17H2,1H3,(H2,19,20);14H,3-13H2,1-2H3.
What are the key properties of N-methyldodecan-1-amine;octadec-9-enamide?
N-methyldodecan-1-amine;octadec-9-enamide has a molecular weight of 480.87 g/mol, XLogP of 9.64, 26 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyldodecan-1-amine;octadec-9-enamide is sourced from PubChem (CID 173334466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).