3-(aminomethyl)-N-(2-ethoxyethyl)pentanamide

C10H22N2O2 — CID 81071498

IUPAC3-(aminomethyl)-N-(2-ethoxyethyl)pentanamide
SMILESCCOCCNC(=O)CC(CC)CN
InChIInChI=1S/C10H22N2O2/c1-3-9(8-11)7-10(13)12-5-6-14-4-2/h9H,3-8,11H2,1-2H3,(H,12,13)
InChIKeyDMLKOZNDPCVPGN-UHFFFAOYSA-N
MW202.30 g/mol
LogP0.51
Rot. Bonds8

About 3-(aminomethyl)-N-(2-ethoxyethyl)pentanamide

3-(aminomethyl)-N-(2-ethoxyethyl)pentanamide (PubChem CID 81071498) has the molecular formula C10H22N2O2 and a molecular weight of 202.30 g/mol. Its IUPAC name is 3-(aminomethyl)-N-(2-ethoxyethyl)pentanamide.

Molecular Properties

Compound Name3-(aminomethyl)-N-(2-ethoxyethyl)pentanamide
PubChem CID81071498
Molecular FormulaC10H22N2O2
Molecular Weight202.30 g/mol
Exact Mass202.17
IUPAC Name3-(aminomethyl)-N-(2-ethoxyethyl)pentanamide
SMILESCCOCCNC(=O)CC(CC)CN
InChIInChI=1S/C10H22N2O2/c1-3-9(8-11)7-10(13)12-5-6-14-4-2/h9H,3-8,11H2,1-2H3,(H,12,13)
InChIKeyDMLKOZNDPCVPGN-UHFFFAOYSA-N
XLogP0.51
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-(aminomethyl)-N-(2-ethoxyethyl)pentanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(aminomethyl)-N-(4-methoxybutyl)pentanamide
CID 81087341
3-(aminomethyl)-N-[2-(carbamoylamino)ethyl]pentanamide
CID 83110778
3-(aminomethyl)-N-butylpentanamide
CID 81071551
N-(2-ethoxyethyl)-3-methylbutanamide
CID 58439580
3-[3-(aminomethyl)pentanoylamino]propanoic acid
CID 81086548
3-(aminomethyl)-N-[3-(cyclopropylmethoxy)propyl]pentanamide
CID 81070555
3-(aminomethyl)-N-(4-amino-4-oxobutyl)pentanamide
CID 81075818
3-(aminomethyl)-N-(2-cyclopropylethyl)pentanamide
CID 81080317
4-[3-(aminomethyl)pentanoylamino]-2-hydroxybutanoic acid
CID 107836045
3-(aminomethyl)-N-[2-[di(propan-2-yl)amino]ethyl]pentanamide
CID 81070103
3-(aminomethyl)-N-(7-methyloctyl)pentanamide
CID 81086572
3-(aminomethyl)-N-[3-(butan-2-ylamino)-3-oxopropyl]pentanamide
CID 81086542

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-(2-ethoxyethyl)pentanamide?
The IUPAC name of 3-(aminomethyl)-N-(2-ethoxyethyl)pentanamide (CID 81071498) is 3-(aminomethyl)-N-(2-ethoxyethyl)pentanamide.
What is the SMILES notation for 3-(aminomethyl)-N-(2-ethoxyethyl)pentanamide?
The canonical SMILES for 3-(aminomethyl)-N-(2-ethoxyethyl)pentanamide is CCOCCNC(=O)CC(CC)CN.
What is the InChIKey of 3-(aminomethyl)-N-(2-ethoxyethyl)pentanamide?
The InChIKey is DMLKOZNDPCVPGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O2/c1-3-9(8-11)7-10(13)12-5-6-14-4-2/h9H,3-8,11H2,1-2H3,(H,12,13).
What are the key properties of 3-(aminomethyl)-N-(2-ethoxyethyl)pentanamide?
3-(aminomethyl)-N-(2-ethoxyethyl)pentanamide has a molecular weight of 202.30 g/mol, XLogP of 0.51, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-(2-ethoxyethyl)pentanamide is sourced from PubChem (CID 81071498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).