2,6-dimethylhepta-2,4,6-trien-1-amine

C9H15N — CID 123608540

IUPAC2,6-dimethylhepta-2,4,6-trien-1-amine
SMILESC=C(C)C=CC=C(C)CN
InChIInChI=1S/C9H15N/c1-8(2)5-4-6-9(3)7-10/h4-6H,1,7,10H2,2-3H3
InChIKeyUBMBIJPYLTXBHB-UHFFFAOYSA-N
MW137.23 g/mol
LogP2.02
Rot. Bonds3

About 2,6-dimethylhepta-2,4,6-trien-1-amine

2,6-dimethylhepta-2,4,6-trien-1-amine (PubChem CID 123608540) has the molecular formula C9H15N and a molecular weight of 137.23 g/mol. Its IUPAC name is 2,6-dimethylhepta-2,4,6-trien-1-amine.

Molecular Properties

Compound Name2,6-dimethylhepta-2,4,6-trien-1-amine
PubChem CID123608540
Molecular FormulaC9H15N
Molecular Weight137.23 g/mol
Exact Mass137.12
IUPAC Name2,6-dimethylhepta-2,4,6-trien-1-amine
SMILESC=C(C)C=CC=C(C)CN
InChIInChI=1S/C9H15N/c1-8(2)5-4-6-9(3)7-10/h4-6H,1,7,10H2,2-3H3
InChIKeyUBMBIJPYLTXBHB-UHFFFAOYSA-N
XLogP2.02
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.23
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(3Z)-2,6-dimethylhepta-1,3,5-triene
CID 96562826
(2E)-2,4-dimethylpenta-2,4-dien-1-amine
CID 126656213
(3E)-6-ethenyl-2-methylocta-1,3,5,7-tetraene
CID 163402486
(3Z,5E)-6-methyl-2-methylideneocta-3,5,7-trien-1-amine
CID 143819016
(3Z,5E)-2,6,11-trimethyldodeca-1,3,5-triene
CID 142155642
ethane;(2E,4Z)-2,3,6-trimethylhepta-2,4,6-trien-1-amine
CID 145230343
(3Z,5Z)-2-methylideneocta-3,5-dien-1-amine
CID 143910764
2-methylhepta-1,3,5-triene
CID 54571604
(2E,4Z)-2,5-dimethyl-6-methylidenedeca-2,4,9-trien-1-amine
CID 88957085
(3Z)-2,5-dimethylhexa-1,3,5-triene;ethane;propane
CID 144971150
ethane;(E)-2-methylbut-2-en-1-amine
CID 143126419
(3E,5E,7E,9E)-2,6,10,15,19,23-hexamethyltetracosa-1,3,5,7,9-pentaene
CID 21160005

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethylhepta-2,4,6-trien-1-amine?
The IUPAC name of 2,6-dimethylhepta-2,4,6-trien-1-amine (CID 123608540) is 2,6-dimethylhepta-2,4,6-trien-1-amine.
What is the SMILES notation for 2,6-dimethylhepta-2,4,6-trien-1-amine?
The canonical SMILES for 2,6-dimethylhepta-2,4,6-trien-1-amine is C=C(C)C=CC=C(C)CN.
What is the InChIKey of 2,6-dimethylhepta-2,4,6-trien-1-amine?
The InChIKey is UBMBIJPYLTXBHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N/c1-8(2)5-4-6-9(3)7-10/h4-6H,1,7,10H2,2-3H3.
What are the key properties of 2,6-dimethylhepta-2,4,6-trien-1-amine?
2,6-dimethylhepta-2,4,6-trien-1-amine has a molecular weight of 137.23 g/mol, XLogP of 2.02, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethylhepta-2,4,6-trien-1-amine is sourced from PubChem (CID 123608540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).