3,7-dimethyldeca-3,6,9-trien-2-amine

C12H21N — CID 123138602

IUPAC3,7-dimethyldeca-3,6,9-trien-2-amine
SMILESC=CCC(C)=CCC=C(C)C(C)N
InChIInChI=1S/C12H21N/c1-5-7-10(2)8-6-9-11(3)12(4)13/h5,8-9,12H,1,6-7,13H2,2-4H3
InChIKeyLCJXHILOYAXZJI-UHFFFAOYSA-N
MW179.31 g/mol
LogP3.19
Rot. Bonds5

About 3,7-dimethyldeca-3,6,9-trien-2-amine

3,7-dimethyldeca-3,6,9-trien-2-amine (PubChem CID 123138602) has the molecular formula C12H21N and a molecular weight of 179.31 g/mol. Its IUPAC name is 3,7-dimethyldeca-3,6,9-trien-2-amine.

Molecular Properties

Compound Name3,7-dimethyldeca-3,6,9-trien-2-amine
PubChem CID123138602
Molecular FormulaC12H21N
Molecular Weight179.31 g/mol
Exact Mass179.17
IUPAC Name3,7-dimethyldeca-3,6,9-trien-2-amine
SMILESC=CCC(C)=CCC=C(C)C(C)N
InChIInChI=1S/C12H21N/c1-5-7-10(2)8-6-9-11(3)12(4)13/h5,8-9,12H,1,6-7,13H2,2-4H3
InChIKeyLCJXHILOYAXZJI-UHFFFAOYSA-N
XLogP3.19
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.31
LogP ≤ 53.19
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-methylhept-3-en-2-amine
CID 130574470
(E)-3-methylhept-3-en-2-amine
CID 163910373
(E,2R)-3-methylhex-3-en-2-amine
CID 146859099
3-methylidenehex-5-en-2-amine
CID 173274265
(4E,7E)-4,6,7-trimethylnona-1,4,7-triene
CID 20695244
(4Z)-6-iodo-4-methylhexa-1,4-diene
CID 89280235
(4E,7E)-4,7-dimethylnona-1,4,7-triene
CID 173333591
(6E)-3,7-dimethyldeca-1,6,9-trien-2-ol
CID 89256398
(4E,7E)-5,6,7-trimethylnona-1,4,7-triene
CID 20695263
5-methylnona-1,4,7-triene
CID 59970949
(3Z)-4-methylhepta-3,6-dien-1-ol
CID 14691517
(5Z)-6-methylnona-5,8-dien-3-ol
CID 59545208

Frequently Asked Questions

What is the IUPAC name of 3,7-dimethyldeca-3,6,9-trien-2-amine?
The IUPAC name of 3,7-dimethyldeca-3,6,9-trien-2-amine (CID 123138602) is 3,7-dimethyldeca-3,6,9-trien-2-amine.
What is the SMILES notation for 3,7-dimethyldeca-3,6,9-trien-2-amine?
The canonical SMILES for 3,7-dimethyldeca-3,6,9-trien-2-amine is C=CCC(C)=CCC=C(C)C(C)N.
What is the InChIKey of 3,7-dimethyldeca-3,6,9-trien-2-amine?
The InChIKey is LCJXHILOYAXZJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N/c1-5-7-10(2)8-6-9-11(3)12(4)13/h5,8-9,12H,1,6-7,13H2,2-4H3.
What are the key properties of 3,7-dimethyldeca-3,6,9-trien-2-amine?
3,7-dimethyldeca-3,6,9-trien-2-amine has a molecular weight of 179.31 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7-dimethyldeca-3,6,9-trien-2-amine is sourced from PubChem (CID 123138602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).