(Z)-4-ethyl-4-methyldodec-2-en-1-amine

C15H31N — CID 126727185

IUPAC(Z)-4-ethyl-4-methyldodec-2-en-1-amine
SMILESCCCCCCCCC(C)(/C=C\CN)CC
InChIInChI=1S/C15H31N/c1-4-6-7-8-9-10-12-15(3,5-2)13-11-14-16/h11,13H,4-10,12,14,16H2,1-3H3/b13-11-
InChIKeyKOHRWLOXHARMSB-QBFSEMIESA-N
MW225.42 g/mol
LogP4.67
Rot. Bonds10

About (Z)-4-ethyl-4-methyldodec-2-en-1-amine

(Z)-4-ethyl-4-methyldodec-2-en-1-amine (PubChem CID 126727185) has the molecular formula C15H31N and a molecular weight of 225.42 g/mol. Its IUPAC name is (Z)-4-ethyl-4-methyldodec-2-en-1-amine.

Molecular Properties

Compound Name(Z)-4-ethyl-4-methyldodec-2-en-1-amine
PubChem CID126727185
Molecular FormulaC15H31N
Molecular Weight225.42 g/mol
Exact Mass225.25
IUPAC Name(Z)-4-ethyl-4-methyldodec-2-en-1-amine
SMILESCCCCCCCCC(C)(/C=C\CN)CC
InChIInChI=1S/C15H31N/c1-4-6-7-8-9-10-12-15(3,5-2)13-11-14-16/h11,13H,4-10,12,14,16H2,1-3H3/b13-11-
InChIKeyKOHRWLOXHARMSB-QBFSEMIESA-N
XLogP4.67
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.42
LogP ≤ 54.67
H-Bond Donors ≤ 51
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)-4-ethyl-4-methyldec-2-ene
CID 134979777
4-ethyl-4-methylnon-2-ene
CID 123220710
2-methyloctane-1,2-diamine
CID 43519506
(Z)-2,2-dimethylnonadec-7-ene
CID 176613705
3-(bromomethyl)-3-methyldodec-1-ene
CID 102642280
azane;2,2-dimethylundecane
CID 172735807
2,2-dimethylundecane;hydrobromide
CID 172814192
3-methyloctadecan-3-amine
CID 54058172
2,2-dimethyloctan-1-amine
CID 62739423
4,4-dimethyltridecan-1-amine
CID 172686024
5-(1,1-dimethoxyethyl)-5-ethyltridec-3-ene
CID 151382916
3-ethyl-3-methyldecane
CID 545661

Frequently Asked Questions

What is the IUPAC name of (Z)-4-ethyl-4-methyldodec-2-en-1-amine?
The IUPAC name of (Z)-4-ethyl-4-methyldodec-2-en-1-amine (CID 126727185) is (Z)-4-ethyl-4-methyldodec-2-en-1-amine.
What is the SMILES notation for (Z)-4-ethyl-4-methyldodec-2-en-1-amine?
The canonical SMILES for (Z)-4-ethyl-4-methyldodec-2-en-1-amine is CCCCCCCCC(C)(/C=C\CN)CC.
What is the InChIKey of (Z)-4-ethyl-4-methyldodec-2-en-1-amine?
The InChIKey is KOHRWLOXHARMSB-QBFSEMIESA-N. The full InChI is InChI=1S/C15H31N/c1-4-6-7-8-9-10-12-15(3,5-2)13-11-14-16/h11,13H,4-10,12,14,16H2,1-3H3/b13-11-.
What are the key properties of (Z)-4-ethyl-4-methyldodec-2-en-1-amine?
(Z)-4-ethyl-4-methyldodec-2-en-1-amine has a molecular weight of 225.42 g/mol, XLogP of 4.67, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-ethyl-4-methyldodec-2-en-1-amine is sourced from PubChem (CID 126727185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).