3-(aminomethyl)-N-(4-methoxybutyl)pentanamide

C11H24N2O2 — CID 81087341

IUPAC3-(aminomethyl)-N-(4-methoxybutyl)pentanamide
SMILESCCC(CN)CC(=O)NCCCCOC
InChIInChI=1S/C11H24N2O2/c1-3-10(9-12)8-11(14)13-6-4-5-7-15-2/h10H,3-9,12H2,1-2H3,(H,13,14)
InChIKeyXIKMWPTVWXLMTO-UHFFFAOYSA-N
MW216.32 g/mol
LogP0.90
Rot. Bonds9

About 3-(aminomethyl)-N-(4-methoxybutyl)pentanamide

3-(aminomethyl)-N-(4-methoxybutyl)pentanamide (PubChem CID 81087341) has the molecular formula C11H24N2O2 and a molecular weight of 216.32 g/mol. Its IUPAC name is 3-(aminomethyl)-N-(4-methoxybutyl)pentanamide.

Molecular Properties

Compound Name3-(aminomethyl)-N-(4-methoxybutyl)pentanamide
PubChem CID81087341
Molecular FormulaC11H24N2O2
Molecular Weight216.32 g/mol
Exact Mass216.18
IUPAC Name3-(aminomethyl)-N-(4-methoxybutyl)pentanamide
SMILESCCC(CN)CC(=O)NCCCCOC
InChIInChI=1S/C11H24N2O2/c1-3-10(9-12)8-11(14)13-6-4-5-7-15-2/h10H,3-9,12H2,1-2H3,(H,13,14)
InChIKeyXIKMWPTVWXLMTO-UHFFFAOYSA-N
XLogP0.90
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-(4-amino-4-oxobutyl)pentanamide
CID 81075818
3-(aminomethyl)-N-(7-methyloctyl)pentanamide
CID 81086572
3-(aminomethyl)-N-(2-ethoxyethyl)pentanamide
CID 81071498
3-(aminomethyl)-N-[3-(cyclopropylmethoxy)propyl]pentanamide
CID 81070555
3-(aminomethyl)-N-[3-(diethylamino)propyl]pentanamide
CID 81070117
3-(aminomethyl)-N-[2-(carbamoylamino)ethyl]pentanamide
CID 83110778
3-(aminomethyl)-N-(5-hydroxy-4-methylpentyl)pentanamide
CID 106161224
3-(aminomethyl)-N-(2-hydroxy-4-methoxy-2-methylbutyl)pentanamide
CID 106254861
3-[3-(aminomethyl)pentanoylamino]propanoic acid
CID 81086548
3-(aminomethyl)-N-(2-cyclopropylethyl)pentanamide
CID 81080317
3-(aminomethyl)-N-[2-[di(propan-2-yl)amino]ethyl]pentanamide
CID 81070103

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-(4-methoxybutyl)pentanamide?
The IUPAC name of 3-(aminomethyl)-N-(4-methoxybutyl)pentanamide (CID 81087341) is 3-(aminomethyl)-N-(4-methoxybutyl)pentanamide.
What is the SMILES notation for 3-(aminomethyl)-N-(4-methoxybutyl)pentanamide?
The canonical SMILES for 3-(aminomethyl)-N-(4-methoxybutyl)pentanamide is CCC(CN)CC(=O)NCCCCOC.
What is the InChIKey of 3-(aminomethyl)-N-(4-methoxybutyl)pentanamide?
The InChIKey is XIKMWPTVWXLMTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O2/c1-3-10(9-12)8-11(14)13-6-4-5-7-15-2/h10H,3-9,12H2,1-2H3,(H,13,14).
What are the key properties of 3-(aminomethyl)-N-(4-methoxybutyl)pentanamide?
3-(aminomethyl)-N-(4-methoxybutyl)pentanamide has a molecular weight of 216.32 g/mol, XLogP of 0.90, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-(4-methoxybutyl)pentanamide is sourced from PubChem (CID 81087341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).