3,7-dimethylocta-1,6-dien-3-amine

C10H19N — CID 11275125

IUPAC3,7-dimethylocta-1,6-dien-3-amine
SMILESC=CC(C)(N)CCC=C(C)C
InChIInChI=1S/C10H19N/c1-5-10(4,11)8-6-7-9(2)3/h5,7H,1,6,8,11H2,2-4H3
InChIKeyHERSWHWQXZRIDA-UHFFFAOYSA-N
MW153.27 g/mol
LogP2.64
Rot. Bonds4

About 3,7-dimethylocta-1,6-dien-3-amine

3,7-dimethylocta-1,6-dien-3-amine (PubChem CID 11275125) has the molecular formula C10H19N and a molecular weight of 153.27 g/mol. Its IUPAC name is 3,7-dimethylocta-1,6-dien-3-amine.

Molecular Properties

Compound Name3,7-dimethylocta-1,6-dien-3-amine
PubChem CID11275125
Molecular FormulaC10H19N
Molecular Weight153.27 g/mol
Exact Mass153.15
IUPAC Name3,7-dimethylocta-1,6-dien-3-amine
SMILESC=CC(C)(N)CCC=C(C)C
InChIInChI=1S/C10H19N/c1-5-10(4,11)8-6-7-9(2)3/h5,7H,1,6,8,11H2,2-4H3
InChIKeyHERSWHWQXZRIDA-UHFFFAOYSA-N
XLogP2.64
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.27
LogP ≤ 52.64
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 3,7-dimethylocta-1,6-dien-3-amine?
The IUPAC name of 3,7-dimethylocta-1,6-dien-3-amine (CID 11275125) is 3,7-dimethylocta-1,6-dien-3-amine.
What is the SMILES notation for 3,7-dimethylocta-1,6-dien-3-amine?
The canonical SMILES for 3,7-dimethylocta-1,6-dien-3-amine is C=CC(C)(N)CCC=C(C)C.
What is the InChIKey of 3,7-dimethylocta-1,6-dien-3-amine?
The InChIKey is HERSWHWQXZRIDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N/c1-5-10(4,11)8-6-7-9(2)3/h5,7H,1,6,8,11H2,2-4H3.
What are the key properties of 3,7-dimethylocta-1,6-dien-3-amine?
3,7-dimethylocta-1,6-dien-3-amine has a molecular weight of 153.27 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7-dimethylocta-1,6-dien-3-amine is sourced from PubChem (CID 11275125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).