N,6-dimethylhepta-3,5-dien-1-amine

C9H17N — CID 79592031

IUPACN,6-dimethylhepta-3,5-dien-1-amine
SMILESCNCCC=CC=C(C)C
InChIInChI=1S/C9H17N/c1-9(2)7-5-4-6-8-10-3/h4-5,7,10H,6,8H2,1-3H3
InChIKeyCDLIWUDGIZOPKL-UHFFFAOYSA-N
MW139.24 g/mol
LogP2.12
Rot. Bonds4

About N,6-dimethylhepta-3,5-dien-1-amine

N,6-dimethylhepta-3,5-dien-1-amine (PubChem CID 79592031) has the molecular formula C9H17N and a molecular weight of 139.24 g/mol. Its IUPAC name is N,6-dimethylhepta-3,5-dien-1-amine.

Molecular Properties

Compound NameN,6-dimethylhepta-3,5-dien-1-amine
PubChem CID79592031
Molecular FormulaC9H17N
Molecular Weight139.24 g/mol
Exact Mass139.14
IUPAC NameN,6-dimethylhepta-3,5-dien-1-amine
SMILESCNCCC=CC=C(C)C
InChIInChI=1S/C9H17N/c1-9(2)7-5-4-6-8-10-3/h4-5,7,10H,6,8H2,1-3H3
InChIKeyCDLIWUDGIZOPKL-UHFFFAOYSA-N
XLogP2.12
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.24
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,6-dimethylhepta-3,5-dien-1-amine?
The IUPAC name of N,6-dimethylhepta-3,5-dien-1-amine (CID 79592031) is N,6-dimethylhepta-3,5-dien-1-amine.
What is the SMILES notation for N,6-dimethylhepta-3,5-dien-1-amine?
The canonical SMILES for N,6-dimethylhepta-3,5-dien-1-amine is CNCCC=CC=C(C)C.
What is the InChIKey of N,6-dimethylhepta-3,5-dien-1-amine?
The InChIKey is CDLIWUDGIZOPKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N/c1-9(2)7-5-4-6-8-10-3/h4-5,7,10H,6,8H2,1-3H3.
What are the key properties of N,6-dimethylhepta-3,5-dien-1-amine?
N,6-dimethylhepta-3,5-dien-1-amine has a molecular weight of 139.24 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,6-dimethylhepta-3,5-dien-1-amine is sourced from PubChem (CID 79592031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).