6-ethyl-3,8-dimethylnon-8-en-2-amine

C13H27N — CID 90942542

IUPAC6-ethyl-3,8-dimethylnon-8-en-2-amine
SMILESC=C(C)CC(CC)CCC(C)C(C)N
InChIInChI=1S/C13H27N/c1-6-13(9-10(2)3)8-7-11(4)12(5)14/h11-13H,2,6-9,14H2,1,3-5H3
InChIKeySADFOVRSAUPPKI-UHFFFAOYSA-N
MW197.37 g/mol
LogP3.74
Rot. Bonds7

About 6-ethyl-3,8-dimethylnon-8-en-2-amine

6-ethyl-3,8-dimethylnon-8-en-2-amine (PubChem CID 90942542) has the molecular formula C13H27N and a molecular weight of 197.37 g/mol. Its IUPAC name is 6-ethyl-3,8-dimethylnon-8-en-2-amine.

Molecular Properties

Compound Name6-ethyl-3,8-dimethylnon-8-en-2-amine
PubChem CID90942542
Molecular FormulaC13H27N
Molecular Weight197.37 g/mol
Exact Mass197.21
IUPAC Name6-ethyl-3,8-dimethylnon-8-en-2-amine
SMILESC=C(C)CC(CC)CCC(C)C(C)N
InChIInChI=1S/C13H27N/c1-6-13(9-10(2)3)8-7-11(4)12(5)14/h11-13H,2,6-9,14H2,1,3-5H3
InChIKeySADFOVRSAUPPKI-UHFFFAOYSA-N
XLogP3.74
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.37
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 72200507
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CID 550746
Diallyloctylamine
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2-(4-Methylidenecyclohexyl)ethanamine
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(3R)-2-methyl-6-(trifluoromethyl)oct-1-en-3-amine
CID 89073715
2-Methyl-6-(trifluoromethyl)oct-1-en-3-amine
CID 89154096
1-(Cyclopenten-1-yl)-1-fluoro-3-methylpentan-2-amine
CID 91802558
2-But-3-enyl-6-fluoro-7-methyloct-7-en-1-amine
CID 123370378
8-(3,3-Difluorocyclobutyl)-4-methyl-6-methylideneoctan-2-amine
CID 129066497
4-(4,4-Difluorohex-1-en-2-yl)cyclohexan-1-amine
CID 134430016
6-Fluoro-2,6-dimethylhept-1-en-3-amine
CID 167281896

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-3,8-dimethylnon-8-en-2-amine?
The IUPAC name of 6-ethyl-3,8-dimethylnon-8-en-2-amine (CID 90942542) is 6-ethyl-3,8-dimethylnon-8-en-2-amine.
What is the SMILES notation for 6-ethyl-3,8-dimethylnon-8-en-2-amine?
The canonical SMILES for 6-ethyl-3,8-dimethylnon-8-en-2-amine is C=C(C)CC(CC)CCC(C)C(C)N.
What is the InChIKey of 6-ethyl-3,8-dimethylnon-8-en-2-amine?
The InChIKey is SADFOVRSAUPPKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N/c1-6-13(9-10(2)3)8-7-11(4)12(5)14/h11-13H,2,6-9,14H2,1,3-5H3.
What are the key properties of 6-ethyl-3,8-dimethylnon-8-en-2-amine?
6-ethyl-3,8-dimethylnon-8-en-2-amine has a molecular weight of 197.37 g/mol, XLogP of 3.74, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-3,8-dimethylnon-8-en-2-amine is sourced from PubChem (CID 90942542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).