3-(aminomethyl)-N-(7-methyloctyl)pentanamide

C15H32N2O — CID 81086572

IUPAC3-(aminomethyl)-N-(7-methyloctyl)pentanamide
SMILESCCC(CN)CC(=O)NCCCCCCC(C)C
InChIInChI=1S/C15H32N2O/c1-4-14(12-16)11-15(18)17-10-8-6-5-7-9-13(2)3/h13-14H,4-12,16H2,1-3H3,(H,17,18)
InChIKeyPXTPZOKPHJYJOG-UHFFFAOYSA-N
MW256.43 g/mol
LogP3.08
Rot. Bonds11

About 3-(aminomethyl)-N-(7-methyloctyl)pentanamide

3-(aminomethyl)-N-(7-methyloctyl)pentanamide (PubChem CID 81086572) has the molecular formula C15H32N2O and a molecular weight of 256.43 g/mol. Its IUPAC name is 3-(aminomethyl)-N-(7-methyloctyl)pentanamide.

Molecular Properties

Compound Name3-(aminomethyl)-N-(7-methyloctyl)pentanamide
PubChem CID81086572
Molecular FormulaC15H32N2O
Molecular Weight256.43 g/mol
Exact Mass256.25
IUPAC Name3-(aminomethyl)-N-(7-methyloctyl)pentanamide
SMILESCCC(CN)CC(=O)NCCCCCCC(C)C
InChIInChI=1S/C15H32N2O/c1-4-14(12-16)11-15(18)17-10-8-6-5-7-9-13(2)3/h13-14H,4-12,16H2,1-3H3,(H,17,18)
InChIKeyPXTPZOKPHJYJOG-UHFFFAOYSA-N
XLogP3.08
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.43
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(aminomethyl)-N-butylpentanamide
CID 81071551
3-(aminomethyl)-N-(5-hydroxy-4-methylpentyl)pentanamide
CID 106161224
3-(aminomethyl)-N-(4-amino-4-oxobutyl)pentanamide
CID 81075818
3-(aminomethyl)-N-(4-methoxybutyl)pentanamide
CID 81087341
2-(aminomethyl)-N-(7-methyloctyl)butanamide
CID 65229476
3-(aminomethyl)-N-(6-hydroxyhexyl)-5-methylhexanamide
CID 107842492
3-(aminomethyl)-N-[3-(diethylamino)propyl]pentanamide
CID 81070117
3-(aminomethyl)-N-[2-(carbamoylamino)ethyl]pentanamide
CID 83110778
4-methyl-N-(6-methylheptyl)pentanamide
CID 129055781
3-[3-(aminomethyl)pentanoylamino]propanoic acid
CID 81086548
3-(aminomethyl)-N-[2-[di(propan-2-yl)amino]ethyl]pentanamide
CID 81070103
4-[3-(aminomethyl)pentanoylamino]-2-hydroxybutanoic acid
CID 107836045

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-(7-methyloctyl)pentanamide?
The IUPAC name of 3-(aminomethyl)-N-(7-methyloctyl)pentanamide (CID 81086572) is 3-(aminomethyl)-N-(7-methyloctyl)pentanamide.
What is the SMILES notation for 3-(aminomethyl)-N-(7-methyloctyl)pentanamide?
The canonical SMILES for 3-(aminomethyl)-N-(7-methyloctyl)pentanamide is CCC(CN)CC(=O)NCCCCCCC(C)C.
What is the InChIKey of 3-(aminomethyl)-N-(7-methyloctyl)pentanamide?
The InChIKey is PXTPZOKPHJYJOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2O/c1-4-14(12-16)11-15(18)17-10-8-6-5-7-9-13(2)3/h13-14H,4-12,16H2,1-3H3,(H,17,18).
What are the key properties of 3-(aminomethyl)-N-(7-methyloctyl)pentanamide?
3-(aminomethyl)-N-(7-methyloctyl)pentanamide has a molecular weight of 256.43 g/mol, XLogP of 3.08, 11 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-(7-methyloctyl)pentanamide is sourced from PubChem (CID 81086572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).