3,6,8-trimethylnon-8-en-2-amine

C12H25N — CID 123867082

IUPAC3,6,8-trimethylnon-8-en-2-amine
SMILESC=C(C)CC(C)CCC(C)C(C)N
InChIInChI=1S/C12H25N/c1-9(2)8-10(3)6-7-11(4)12(5)13/h10-12H,1,6-8,13H2,2-5H3
InChIKeyYINUXVZSLOJODN-UHFFFAOYSA-N
MW183.34 g/mol
LogP3.35
Rot. Bonds6

About 3,6,8-trimethylnon-8-en-2-amine

3,6,8-trimethylnon-8-en-2-amine (PubChem CID 123867082) has the molecular formula C12H25N and a molecular weight of 183.34 g/mol. Its IUPAC name is 3,6,8-trimethylnon-8-en-2-amine.

Molecular Properties

Compound Name3,6,8-trimethylnon-8-en-2-amine
PubChem CID123867082
Molecular FormulaC12H25N
Molecular Weight183.34 g/mol
Exact Mass183.20
IUPAC Name3,6,8-trimethylnon-8-en-2-amine
SMILESC=C(C)CC(C)CCC(C)C(C)N
InChIInChI=1S/C12H25N/c1-9(2)8-10(3)6-7-11(4)12(5)13/h10-12H,1,6-8,13H2,2-5H3
InChIKeyYINUXVZSLOJODN-UHFFFAOYSA-N
XLogP3.35
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.34
LogP ≤ 53.35
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
3,7-Dimethyloct-7-en-1-amine
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CID 550746
Diallyloctylamine
CID 87161058
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 3,6,8-trimethylnon-8-en-2-amine?
The IUPAC name of 3,6,8-trimethylnon-8-en-2-amine (CID 123867082) is 3,6,8-trimethylnon-8-en-2-amine.
What is the SMILES notation for 3,6,8-trimethylnon-8-en-2-amine?
The canonical SMILES for 3,6,8-trimethylnon-8-en-2-amine is C=C(C)CC(C)CCC(C)C(C)N.
What is the InChIKey of 3,6,8-trimethylnon-8-en-2-amine?
The InChIKey is YINUXVZSLOJODN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N/c1-9(2)8-10(3)6-7-11(4)12(5)13/h10-12H,1,6-8,13H2,2-5H3.
What are the key properties of 3,6,8-trimethylnon-8-en-2-amine?
3,6,8-trimethylnon-8-en-2-amine has a molecular weight of 183.34 g/mol, XLogP of 3.35, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6,8-trimethylnon-8-en-2-amine is sourced from PubChem (CID 123867082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).