N,5-dimethylhepta-1,6-dien-2-amine

C9H17N — CID 155584945

IUPACN,5-dimethylhepta-1,6-dien-2-amine
SMILESC=CC(C)CCC(=C)NC
InChIInChI=1S/C9H17N/c1-5-8(2)6-7-9(3)10-4/h5,8,10H,1,3,6-7H2,2,4H3
InChIKeyIYQMLBJEZKOEMN-UHFFFAOYSA-N
MW139.24 g/mol
LogP2.32
Rot. Bonds5

About N,5-dimethylhepta-1,6-dien-2-amine

N,5-dimethylhepta-1,6-dien-2-amine (PubChem CID 155584945) has the molecular formula C9H17N and a molecular weight of 139.24 g/mol. Its IUPAC name is N,5-dimethylhepta-1,6-dien-2-amine.

Molecular Properties

Compound NameN,5-dimethylhepta-1,6-dien-2-amine
PubChem CID155584945
Molecular FormulaC9H17N
Molecular Weight139.24 g/mol
Exact Mass139.14
IUPAC NameN,5-dimethylhepta-1,6-dien-2-amine
SMILESC=CC(C)CCC(=C)NC
InChIInChI=1S/C9H17N/c1-5-8(2)6-7-9(3)10-4/h5,8,10H,1,3,6-7H2,2,4H3
InChIKeyIYQMLBJEZKOEMN-UHFFFAOYSA-N
XLogP2.32
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.24
LogP ≤ 52.32
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 N,5-dimethylhepta-1,6-dien-2-amine?
The IUPAC name of N,5-dimethylhepta-1,6-dien-2-amine (CID 155584945) is N,5-dimethylhepta-1,6-dien-2-amine.
What is the SMILES notation for N,5-dimethylhepta-1,6-dien-2-amine?
The canonical SMILES for N,5-dimethylhepta-1,6-dien-2-amine is C=CC(C)CCC(=C)NC.
What is the InChIKey of N,5-dimethylhepta-1,6-dien-2-amine?
The InChIKey is IYQMLBJEZKOEMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N/c1-5-8(2)6-7-9(3)10-4/h5,8,10H,1,3,6-7H2,2,4H3.
What are the key properties of N,5-dimethylhepta-1,6-dien-2-amine?
N,5-dimethylhepta-1,6-dien-2-amine has a molecular weight of 139.24 g/mol, XLogP of 2.32, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,5-dimethylhepta-1,6-dien-2-amine is sourced from PubChem (CID 155584945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).