(3E)-4,6,7-trimethylocta-3,7-dien-1-amine

C11H21N — CID 89277874

IUPAC(3E)-4,6,7-trimethylocta-3,7-dien-1-amine
SMILESC=C(C)C(C)C/C(C)=C/CCN
InChIInChI=1S/C11H21N/c1-9(2)11(4)8-10(3)6-5-7-12/h6,11H,1,5,7-8,12H2,2-4H3/b10-6+
InChIKeyXEQWICNRJVGWPW-UXBLZVDNSA-N
MW167.30 g/mol
LogP2.88
Rot. Bonds5

About (3E)-4,6,7-trimethylocta-3,7-dien-1-amine

(3E)-4,6,7-trimethylocta-3,7-dien-1-amine (PubChem CID 89277874) has the molecular formula C11H21N and a molecular weight of 167.30 g/mol. Its IUPAC name is (3E)-4,6,7-trimethylocta-3,7-dien-1-amine.

Molecular Properties

Compound Name(3E)-4,6,7-trimethylocta-3,7-dien-1-amine
PubChem CID89277874
Molecular FormulaC11H21N
Molecular Weight167.30 g/mol
Exact Mass167.17
IUPAC Name(3E)-4,6,7-trimethylocta-3,7-dien-1-amine
SMILESC=C(C)C(C)C/C(C)=C/CCN
InChIInChI=1S/C11H21N/c1-9(2)11(4)8-10(3)6-5-7-12/h6,11H,1,5,7-8,12H2,2-4H3/b10-6+
InChIKeyXEQWICNRJVGWPW-UXBLZVDNSA-N
XLogP2.88
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.30
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4,6-dimethylhept-3-en-1-amine
CID 76997294
2,3,5-trimethylocta-1,5-diene
CID 123730712
2,3,5,8-tetramethyldeca-1,5,9-triene
CID 549653
(E)-4-methylhex-3-en-1-amine
CID 63969892
4-methyl-6-methylideneoct-3-en-1-amine
CID 79590523
(Z)-4,5-dimethylhex-3-en-1-amine
CID 152928892
(6E)-3,7-dimethyldeca-1,6,9-trien-2-ol
CID 89256398
4-methylnon-3-en-1-amine
CID 79593569
ethyl 3,4-dimethylpent-4-enoate
CID 14786682
3,4-dimethylpent-4-en-1-ol
CID 14417455
3,5-dimethylhex-5-en-1-amine
CID 81013069
5,5-difluoro-4-methylpent-3-en-1-amine
CID 80611327

Frequently Asked Questions

What is the IUPAC name of (3E)-4,6,7-trimethylocta-3,7-dien-1-amine?
The IUPAC name of (3E)-4,6,7-trimethylocta-3,7-dien-1-amine (CID 89277874) is (3E)-4,6,7-trimethylocta-3,7-dien-1-amine.
What is the SMILES notation for (3E)-4,6,7-trimethylocta-3,7-dien-1-amine?
The canonical SMILES for (3E)-4,6,7-trimethylocta-3,7-dien-1-amine is C=C(C)C(C)C/C(C)=C/CCN.
What is the InChIKey of (3E)-4,6,7-trimethylocta-3,7-dien-1-amine?
The InChIKey is XEQWICNRJVGWPW-UXBLZVDNSA-N. The full InChI is InChI=1S/C11H21N/c1-9(2)11(4)8-10(3)6-5-7-12/h6,11H,1,5,7-8,12H2,2-4H3/b10-6+.
What are the key properties of (3E)-4,6,7-trimethylocta-3,7-dien-1-amine?
(3E)-4,6,7-trimethylocta-3,7-dien-1-amine has a molecular weight of 167.30 g/mol, XLogP of 2.88, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-4,6,7-trimethylocta-3,7-dien-1-amine is sourced from PubChem (CID 89277874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).