2,5,8-trimethylnon-1-en-3-amine

C12H25N — CID 123852362

IUPAC2,5,8-trimethylnon-1-en-3-amine
SMILESC=C(C)C(N)CC(C)CCC(C)C
InChIInChI=1S/C12H25N/c1-9(2)6-7-11(5)8-12(13)10(3)4/h9,11-12H,3,6-8,13H2,1-2,4-5H3
InChIKeyOVIKLDDGMSNASM-UHFFFAOYSA-N
MW183.34 g/mol
LogP3.35
Rot. Bonds6

About 2,5,8-trimethylnon-1-en-3-amine

2,5,8-trimethylnon-1-en-3-amine (PubChem CID 123852362) has the molecular formula C12H25N and a molecular weight of 183.34 g/mol. Its IUPAC name is 2,5,8-trimethylnon-1-en-3-amine.

Molecular Properties

Compound Name2,5,8-trimethylnon-1-en-3-amine
PubChem CID123852362
Molecular FormulaC12H25N
Molecular Weight183.34 g/mol
Exact Mass183.20
IUPAC Name2,5,8-trimethylnon-1-en-3-amine
SMILESC=C(C)C(N)CC(C)CCC(C)C
InChIInChI=1S/C12H25N/c1-9(2)6-7-11(5)8-12(13)10(3)4/h9,11-12H,3,6-8,13H2,1-2,4-5H3
InChIKeyOVIKLDDGMSNASM-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

3,7-Dimethyloct-7-enylazanium
CID 72200507
3,7-Dimethyloct-7-en-1-amine
CID 53497564
2,7-Dimethyl-1,7-octadien-3-amine
CID 550746
Menthenamine
CID 129691874
(3R)-2-methyl-6-(trifluoromethyl)oct-1-en-3-amine
CID 89073715
2-Methyl-6-(trifluoromethyl)oct-1-en-3-amine
CID 89154096
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
8-fluoro-N,2-dimethyl-3-methylideneoctan-4-amine
CID 134571051
6-Fluoro-2,6-dimethylhept-1-en-3-amine
CID 167281896
(3R)-4-fluoro-6,7,8-trimethyl-4-prop-1-en-2-yl-3-propylnonan-2-amine
CID 174293075
5-Isopropenyl-2-methyl-cyclohex-2-enylamine
CID 4137734

Frequently Asked Questions

What is the IUPAC name of 2,5,8-trimethylnon-1-en-3-amine?
The IUPAC name of 2,5,8-trimethylnon-1-en-3-amine (CID 123852362) is 2,5,8-trimethylnon-1-en-3-amine.
What is the SMILES notation for 2,5,8-trimethylnon-1-en-3-amine?
The canonical SMILES for 2,5,8-trimethylnon-1-en-3-amine is C=C(C)C(N)CC(C)CCC(C)C.
What is the InChIKey of 2,5,8-trimethylnon-1-en-3-amine?
The InChIKey is OVIKLDDGMSNASM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N/c1-9(2)6-7-11(5)8-12(13)10(3)4/h9,11-12H,3,6-8,13H2,1-2,4-5H3.
What are the key properties of 2,5,8-trimethylnon-1-en-3-amine?
2,5,8-trimethylnon-1-en-3-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 2,5,8-trimethylnon-1-en-3-amine is sourced from PubChem (CID 123852362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).