(E)-7-methyloct-2-en-1-amine

C9H19N — CID 55290253

IUPAC(E)-7-methyloct-2-en-1-amine
SMILESCC(C)CCC/C=C/CN
InChIInChI=1S/C9H19N/c1-9(2)7-5-3-4-6-8-10/h4,6,9H,3,5,7-8,10H2,1-2H3/b6-4+
InChIKeyCRQVXRIAGPHHLU-GQCTYLIASA-N
MW141.26 g/mol
LogP2.33
Rot. Bonds5

About (E)-7-methyloct-2-en-1-amine

(E)-7-methyloct-2-en-1-amine (PubChem CID 55290253) has the molecular formula C9H19N and a molecular weight of 141.26 g/mol. Its IUPAC name is (E)-7-methyloct-2-en-1-amine.

Molecular Properties

Compound Name(E)-7-methyloct-2-en-1-amine
PubChem CID55290253
Molecular FormulaC9H19N
Molecular Weight141.26 g/mol
Exact Mass141.15
IUPAC Name(E)-7-methyloct-2-en-1-amine
SMILESCC(C)CCC/C=C/CN
InChIInChI=1S/C9H19N/c1-9(2)7-5-3-4-6-8-10/h4,6,9H,3,5,7-8,10H2,1-2H3/b6-4+
InChIKeyCRQVXRIAGPHHLU-GQCTYLIASA-N
XLogP2.33
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.26
LogP ≤ 52.33
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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Frequently Asked Questions

What is the IUPAC name of (E)-7-methyloct-2-en-1-amine?
The IUPAC name of (E)-7-methyloct-2-en-1-amine (CID 55290253) is (E)-7-methyloct-2-en-1-amine.
What is the SMILES notation for (E)-7-methyloct-2-en-1-amine?
The canonical SMILES for (E)-7-methyloct-2-en-1-amine is CC(C)CCC/C=C/CN.
What is the InChIKey of (E)-7-methyloct-2-en-1-amine?
The InChIKey is CRQVXRIAGPHHLU-GQCTYLIASA-N. The full InChI is InChI=1S/C9H19N/c1-9(2)7-5-3-4-6-8-10/h4,6,9H,3,5,7-8,10H2,1-2H3/b6-4+.
What are the key properties of (E)-7-methyloct-2-en-1-amine?
(E)-7-methyloct-2-en-1-amine has a molecular weight of 141.26 g/mol, XLogP of 2.33, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-7-methyloct-2-en-1-amine is sourced from PubChem (CID 55290253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).