5-methyloct-1-en-4-amine

C9H19N — CID 115814387

IUPAC5-methyloct-1-en-4-amine
SMILESC=CCC(N)C(C)CCC
InChIInChI=1S/C9H19N/c1-4-6-8(3)9(10)7-5-2/h5,8-9H,2,4,6-7,10H2,1,3H3
InChIKeyUNRQCQNECYKDSH-UHFFFAOYSA-N
MW141.26 g/mol
LogP2.33
Rot. Bonds5

About 5-methyloct-1-en-4-amine

5-methyloct-1-en-4-amine (PubChem CID 115814387) has the molecular formula C9H19N and a molecular weight of 141.26 g/mol. Its IUPAC name is 5-methyloct-1-en-4-amine.

Molecular Properties

Compound Name5-methyloct-1-en-4-amine
PubChem CID115814387
Molecular FormulaC9H19N
Molecular Weight141.26 g/mol
Exact Mass141.15
IUPAC Name5-methyloct-1-en-4-amine
SMILESC=CCC(N)C(C)CCC
InChIInChI=1S/C9H19N/c1-4-6-8(3)9(10)7-5-2/h5,8-9H,2,4,6-7,10H2,1,3H3
InChIKeyUNRQCQNECYKDSH-UHFFFAOYSA-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': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-methyloct-1-en-4-amine?
The IUPAC name of 5-methyloct-1-en-4-amine (CID 115814387) is 5-methyloct-1-en-4-amine.
What is the SMILES notation for 5-methyloct-1-en-4-amine?
The canonical SMILES for 5-methyloct-1-en-4-amine is C=CCC(N)C(C)CCC.
What is the InChIKey of 5-methyloct-1-en-4-amine?
The InChIKey is UNRQCQNECYKDSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N/c1-4-6-8(3)9(10)7-5-2/h5,8-9H,2,4,6-7,10H2,1,3H3.
What are the key properties of 5-methyloct-1-en-4-amine?
5-methyloct-1-en-4-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 5-methyloct-1-en-4-amine is sourced from PubChem (CID 115814387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).