8-methyl-N-pentylnon-2-en-4-amine

C15H31N — CID 123233930

IUPAC8-methyl-N-pentylnon-2-en-4-amine
SMILESCC=CC(CCCC(C)C)NCCCCC
InChIInChI=1S/C15H31N/c1-5-7-8-13-16-15(10-6-2)12-9-11-14(3)4/h6,10,14-16H,5,7-9,11-13H2,1-4H3
InChIKeyKKJHPZWIAMPCHB-UHFFFAOYSA-N
MW225.42 g/mol
LogP4.54
Rot. Bonds10

About 8-methyl-N-pentylnon-2-en-4-amine

8-methyl-N-pentylnon-2-en-4-amine (PubChem CID 123233930) has the molecular formula C15H31N and a molecular weight of 225.42 g/mol. Its IUPAC name is 8-methyl-N-pentylnon-2-en-4-amine.

Molecular Properties

Compound Name8-methyl-N-pentylnon-2-en-4-amine
PubChem CID123233930
Molecular FormulaC15H31N
Molecular Weight225.42 g/mol
Exact Mass225.25
IUPAC Name8-methyl-N-pentylnon-2-en-4-amine
SMILESCC=CC(CCCC(C)C)NCCCCC
InChIInChI=1S/C15H31N/c1-5-7-8-13-16-15(10-6-2)12-9-11-14(3)4/h6,10,14-16H,5,7-9,11-13H2,1-4H3
InChIKeyKKJHPZWIAMPCHB-UHFFFAOYSA-N
XLogP4.54
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.42
LogP ≤ 54.54
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

N-(4-methylpentyl)tetradecan-1-amine
CID 143841581
N-(6-methylheptyl)octadecan-1-amine
CID 162253708
N-hexadecyl-18-methylnonadecan-1-amine
CID 158287107
mercury;2-methylheptane
CID 175108338
bis(2-methylheptane);propane
CID 158714851
2-methyldecane
CID 23415
2-methyltetratriacontane
CID 14275207
λ2-plumbane;2-methylheptane
CID 175297432
ethane;hexane;2-methylhexane
CID 142051007
cobalt;2-methylheptane
CID 175521472
2-methylpentaoctacontane
CID 90745672
2-methyloctacosane
CID 519147

Frequently Asked Questions

What is the IUPAC name of 8-methyl-N-pentylnon-2-en-4-amine?
The IUPAC name of 8-methyl-N-pentylnon-2-en-4-amine (CID 123233930) is 8-methyl-N-pentylnon-2-en-4-amine.
What is the SMILES notation for 8-methyl-N-pentylnon-2-en-4-amine?
The canonical SMILES for 8-methyl-N-pentylnon-2-en-4-amine is CC=CC(CCCC(C)C)NCCCCC.
What is the InChIKey of 8-methyl-N-pentylnon-2-en-4-amine?
The InChIKey is KKJHPZWIAMPCHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N/c1-5-7-8-13-16-15(10-6-2)12-9-11-14(3)4/h6,10,14-16H,5,7-9,11-13H2,1-4H3.
What are the key properties of 8-methyl-N-pentylnon-2-en-4-amine?
8-methyl-N-pentylnon-2-en-4-amine has a molecular weight of 225.42 g/mol, XLogP of 4.54, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-N-pentylnon-2-en-4-amine is sourced from PubChem (CID 123233930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).