2-methylnon-8-en-3-amine

C10H21N — CID 64502987

IUPAC2-methylnon-8-en-3-amine
SMILESC=CCCCCC(N)C(C)C
InChIInChI=1S/C10H21N/c1-4-5-6-7-8-10(11)9(2)3/h4,9-10H,1,5-8,11H2,2-3H3
InChIKeyNSHPSKFXMCHKDJ-UHFFFAOYSA-N
MW155.28 g/mol
LogP2.72
Rot. Bonds6

About 2-methylnon-8-en-3-amine

2-methylnon-8-en-3-amine (PubChem CID 64502987) has the molecular formula C10H21N and a molecular weight of 155.28 g/mol. Its IUPAC name is 2-methylnon-8-en-3-amine.

Molecular Properties

Compound Name2-methylnon-8-en-3-amine
PubChem CID64502987
Molecular FormulaC10H21N
Molecular Weight155.28 g/mol
Exact Mass155.17
IUPAC Name2-methylnon-8-en-3-amine
SMILESC=CCCCCC(N)C(C)C
InChIInChI=1S/C10H21N/c1-4-5-6-7-8-10(11)9(2)3/h4,9-10H,1,5-8,11H2,2-3H3
InChIKeyNSHPSKFXMCHKDJ-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': '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 2-methylnon-8-en-3-amine?
The IUPAC name of 2-methylnon-8-en-3-amine (CID 64502987) is 2-methylnon-8-en-3-amine.
What is the SMILES notation for 2-methylnon-8-en-3-amine?
The canonical SMILES for 2-methylnon-8-en-3-amine is C=CCCCCC(N)C(C)C.
What is the InChIKey of 2-methylnon-8-en-3-amine?
The InChIKey is NSHPSKFXMCHKDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N/c1-4-5-6-7-8-10(11)9(2)3/h4,9-10H,1,5-8,11H2,2-3H3.
What are the key properties of 2-methylnon-8-en-3-amine?
2-methylnon-8-en-3-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 2-methylnon-8-en-3-amine is sourced from PubChem (CID 64502987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).