3,5-dimethylhept-6-en-2-amine

C9H19N — CID 123728345

IUPAC3,5-dimethylhept-6-en-2-amine
SMILESC=CC(C)CC(C)C(C)N
InChIInChI=1S/C9H19N/c1-5-7(2)6-8(3)9(4)10/h5,7-9H,1,6,10H2,2-4H3
InChIKeyQFGPFCXQQMIXLS-UHFFFAOYSA-N
MW141.26 g/mol
LogP2.18
Rot. Bonds4

About 3,5-dimethylhept-6-en-2-amine

3,5-dimethylhept-6-en-2-amine (PubChem CID 123728345) has the molecular formula C9H19N and a molecular weight of 141.26 g/mol. Its IUPAC name is 3,5-dimethylhept-6-en-2-amine.

Molecular Properties

Compound Name3,5-dimethylhept-6-en-2-amine
PubChem CID123728345
Molecular FormulaC9H19N
Molecular Weight141.26 g/mol
Exact Mass141.15
IUPAC Name3,5-dimethylhept-6-en-2-amine
SMILESC=CC(C)CC(C)C(C)N
InChIInChI=1S/C9H19N/c1-5-7(2)6-8(3)9(4)10/h5,7-9H,1,6,10H2,2-4H3
InChIKeyQFGPFCXQQMIXLS-UHFFFAOYSA-N
XLogP2.18
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.26
LogP ≤ 52.18
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 3,5-dimethylhept-6-en-2-amine?
The IUPAC name of 3,5-dimethylhept-6-en-2-amine (CID 123728345) is 3,5-dimethylhept-6-en-2-amine.
What is the SMILES notation for 3,5-dimethylhept-6-en-2-amine?
The canonical SMILES for 3,5-dimethylhept-6-en-2-amine is C=CC(C)CC(C)C(C)N.
What is the InChIKey of 3,5-dimethylhept-6-en-2-amine?
The InChIKey is QFGPFCXQQMIXLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N/c1-5-7(2)6-8(3)9(4)10/h5,7-9H,1,6,10H2,2-4H3.
What are the key properties of 3,5-dimethylhept-6-en-2-amine?
3,5-dimethylhept-6-en-2-amine has a molecular weight of 141.26 g/mol, XLogP of 2.18, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethylhept-6-en-2-amine is sourced from PubChem (CID 123728345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).