5-methylnon-1-en-4-amine

C10H21N — CID 90019006

IUPAC5-methylnon-1-en-4-amine
SMILESC=CCC(N)C(C)CCCC
InChIInChI=1S/C10H21N/c1-4-6-8-9(3)10(11)7-5-2/h5,9-10H,2,4,6-8,11H2,1,3H3
InChIKeyLTCOYGQBXWGCFY-UHFFFAOYSA-N
MW155.28 g/mol
LogP2.72
Rot. Bonds6

About 5-methylnon-1-en-4-amine

5-methylnon-1-en-4-amine (PubChem CID 90019006) has the molecular formula C10H21N and a molecular weight of 155.28 g/mol. Its IUPAC name is 5-methylnon-1-en-4-amine.

Molecular Properties

Compound Name5-methylnon-1-en-4-amine
PubChem CID90019006
Molecular FormulaC10H21N
Molecular Weight155.28 g/mol
Exact Mass155.17
IUPAC Name5-methylnon-1-en-4-amine
SMILESC=CCC(N)C(C)CCCC
InChIInChI=1S/C10H21N/c1-4-6-8-9(3)10(11)7-5-2/h5,9-10H,2,4,6-8,11H2,1,3H3
InChIKeyLTCOYGQBXWGCFY-UHFFFAOYSA-N
XLogP2.72
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.28
LogP ≤ 52.72
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-methylnon-1-en-4-amine?
The IUPAC name of 5-methylnon-1-en-4-amine (CID 90019006) is 5-methylnon-1-en-4-amine.
What is the SMILES notation for 5-methylnon-1-en-4-amine?
The canonical SMILES for 5-methylnon-1-en-4-amine is C=CCC(N)C(C)CCCC.
What is the InChIKey of 5-methylnon-1-en-4-amine?
The InChIKey is LTCOYGQBXWGCFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N/c1-4-6-8-9(3)10(11)7-5-2/h5,9-10H,2,4,6-8,11H2,1,3H3.
What are the key properties of 5-methylnon-1-en-4-amine?
5-methylnon-1-en-4-amine has a molecular weight of 155.28 g/mol, XLogP of 2.72, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylnon-1-en-4-amine is sourced from PubChem (CID 90019006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).