(2E)-octa-2,7-dien-1-amine

C8H15N — CID 10176143

IUPAC(2E)-octa-2,7-dien-1-amine
SMILESC=CCCC/C=C/CN
InChIInChI=1S/C8H15N/c1-2-3-4-5-6-7-8-9/h2,6-7H,1,3-5,8-9H2/b7-6+
InChIKeyMPAFPLNWSFVCCH-VOTSOKGWSA-N
MW125.21 g/mol
LogP1.86
Rot. Bonds5

About (2E)-octa-2,7-dien-1-amine

(2E)-octa-2,7-dien-1-amine (PubChem CID 10176143) has the molecular formula C8H15N and a molecular weight of 125.21 g/mol. Its IUPAC name is (2E)-octa-2,7-dien-1-amine.

Molecular Properties

Compound Name(2E)-octa-2,7-dien-1-amine
PubChem CID10176143
Molecular FormulaC8H15N
Molecular Weight125.21 g/mol
Exact Mass125.12
IUPAC Name(2E)-octa-2,7-dien-1-amine
SMILESC=CCCC/C=C/CN
InChIInChI=1S/C8H15N/c1-2-3-4-5-6-7-8-9/h2,6-7H,1,3-5,8-9H2/b7-6+
InChIKeyMPAFPLNWSFVCCH-VOTSOKGWSA-N
XLogP1.86
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.21
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2E)-3,7-Dimethylocta-2,6-dien-1-amine
CID 5475462
(4E)-4-Hexen-1-amine
CID 5466587
2,6,10-Dodecatrien-1-amine, 3,7,11-trimethyl-
CID 6449783
(2Z,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-amine
CID 18598171
Cyclopent-2-en-1-amine
CID 13532837
Farnesylamine
CID 3080630
(2Z)-Farnesylamine
CID 129653587
(2E)-pent-2-en-1-amine hydrochloride
CID 121552531
3,7-Dimethylocta-2,6-dien-1-amine
CID 160248
Cyclopent-3-en-1-amine
CID 2756396
4-Octene-1,8-diamine
CID 3023535
2,6-Octadien-1-amine, 3,7-dimethyl-
CID 5362850

Frequently Asked Questions

What is the IUPAC name of (2E)-octa-2,7-dien-1-amine?
The IUPAC name of (2E)-octa-2,7-dien-1-amine (CID 10176143) is (2E)-octa-2,7-dien-1-amine.
What is the SMILES notation for (2E)-octa-2,7-dien-1-amine?
The canonical SMILES for (2E)-octa-2,7-dien-1-amine is C=CCCC/C=C/CN.
What is the InChIKey of (2E)-octa-2,7-dien-1-amine?
The InChIKey is MPAFPLNWSFVCCH-VOTSOKGWSA-N. The full InChI is InChI=1S/C8H15N/c1-2-3-4-5-6-7-8-9/h2,6-7H,1,3-5,8-9H2/b7-6+.
What are the key properties of (2E)-octa-2,7-dien-1-amine?
(2E)-octa-2,7-dien-1-amine has a molecular weight of 125.21 g/mol, XLogP of 1.86, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-octa-2,7-dien-1-amine is sourced from PubChem (CID 10176143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).