2,6-dimethyl-N-prop-2-enylhepta-1,6-dien-4-amine

C12H21N — CID 23109108

IUPAC2,6-dimethyl-N-prop-2-enylhepta-1,6-dien-4-amine
SMILESC=CCNC(CC(=C)C)CC(=C)C
InChIInChI=1S/C12H21N/c1-6-7-13-12(8-10(2)3)9-11(4)5/h6,12-13H,1-2,4,7-9H2,3,5H3
InChIKeyQGQIKFHTFJFJQS-UHFFFAOYSA-N
MW179.31 g/mol
LogP3.06
Rot. Bonds7

About 2,6-dimethyl-N-prop-2-enylhepta-1,6-dien-4-amine

2,6-dimethyl-N-prop-2-enylhepta-1,6-dien-4-amine (PubChem CID 23109108) has the molecular formula C12H21N and a molecular weight of 179.31 g/mol. Its IUPAC name is 2,6-dimethyl-N-prop-2-enylhepta-1,6-dien-4-amine.

Molecular Properties

Compound Name2,6-dimethyl-N-prop-2-enylhepta-1,6-dien-4-amine
PubChem CID23109108
Molecular FormulaC12H21N
Molecular Weight179.31 g/mol
Exact Mass179.17
IUPAC Name2,6-dimethyl-N-prop-2-enylhepta-1,6-dien-4-amine
SMILESC=CCNC(CC(=C)C)CC(=C)C
InChIInChI=1S/C12H21N/c1-6-7-13-12(8-10(2)3)9-11(4)5/h6,12-13H,1-2,4,7-9H2,3,5H3
InChIKeyQGQIKFHTFJFJQS-UHFFFAOYSA-N
XLogP3.06
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.31
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-N-prop-2-enylhepta-1,6-dien-4-amine?
The IUPAC name of 2,6-dimethyl-N-prop-2-enylhepta-1,6-dien-4-amine (CID 23109108) is 2,6-dimethyl-N-prop-2-enylhepta-1,6-dien-4-amine.
What is the SMILES notation for 2,6-dimethyl-N-prop-2-enylhepta-1,6-dien-4-amine?
The canonical SMILES for 2,6-dimethyl-N-prop-2-enylhepta-1,6-dien-4-amine is C=CCNC(CC(=C)C)CC(=C)C.
What is the InChIKey of 2,6-dimethyl-N-prop-2-enylhepta-1,6-dien-4-amine?
The InChIKey is QGQIKFHTFJFJQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N/c1-6-7-13-12(8-10(2)3)9-11(4)5/h6,12-13H,1-2,4,7-9H2,3,5H3.
What are the key properties of 2,6-dimethyl-N-prop-2-enylhepta-1,6-dien-4-amine?
2,6-dimethyl-N-prop-2-enylhepta-1,6-dien-4-amine has a molecular weight of 179.31 g/mol, XLogP of 3.06, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-N-prop-2-enylhepta-1,6-dien-4-amine is sourced from PubChem (CID 23109108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).