2-(aminomethyl)-N-[2-(cyclopropylmethoxy)ethyl]-N,4,4-trimethylpentanamide

C15H30N2O2 — CID 107472450

IUPAC2-(aminomethyl)-N-[2-(cyclopropylmethoxy)ethyl]-N,4,4-trimethylpentanamide
SMILESCN(CCOCC1CC1)C(=O)C(CN)CC(C)(C)C
InChIInChI=1S/C15H30N2O2/c1-15(2,3)9-13(10-16)14(18)17(4)7-8-19-11-12-5-6-12/h12-13H,5-11,16H2,1-4H3
InChIKeyMZNWQAFXUFWHLY-UHFFFAOYSA-N
MW270.42 g/mol
LogP1.88
Rot. Bonds8

About 2-(aminomethyl)-N-[2-(cyclopropylmethoxy)ethyl]-N,4,4-trimethylpentanamide

2-(aminomethyl)-N-[2-(cyclopropylmethoxy)ethyl]-N,4,4-trimethylpentanamide (PubChem CID 107472450) has the molecular formula C15H30N2O2 and a molecular weight of 270.42 g/mol. Its IUPAC name is 2-(aminomethyl)-N-[2-(cyclopropylmethoxy)ethyl]-N,4,4-trimethylpentanamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-[2-(cyclopropylmethoxy)ethyl]-N,4,4-trimethylpentanamide
PubChem CID107472450
Molecular FormulaC15H30N2O2
Molecular Weight270.42 g/mol
Exact Mass270.23
IUPAC Name2-(aminomethyl)-N-[2-(cyclopropylmethoxy)ethyl]-N,4,4-trimethylpentanamide
SMILESCN(CCOCC1CC1)C(=O)C(CN)CC(C)(C)C
InChIInChI=1S/C15H30N2O2/c1-15(2,3)9-13(10-16)14(18)17(4)7-8-19-11-12-5-6-12/h12-13H,5-11,16H2,1-4H3
InChIKeyMZNWQAFXUFWHLY-UHFFFAOYSA-N
XLogP1.88
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(aminomethyl)-N-[2-(cyclopropylmethoxy)ethyl]-N,4,4-trimethylpentanamide 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

2-(aminomethyl)-N-(cyclopropylmethyl)-N,4,4-trimethylpentanamide
CID 107471602
(2S)-2-amino-N-[2-(cyclopropylmethoxy)ethyl]-N-methylpentanamide
CID 107570144
2-(aminomethyl)-N-(cyclobutylmethyl)-N,4,4-trimethylpentanamide
CID 107472079
N-[2-(cyclopropylmethoxy)ethyl]-2-hydroxy-N,2-dimethylpropanamide
CID 103430227
(2S)-2-amino-N-[2-(cyclopropylmethoxy)ethyl]-N-methyl-4-methylsulfanylbutanamide;hydrochloride
CID 119340566
2-(aminomethyl)-N-butyl-N,4,4-trimethylpentanamide
CID 107470989
3-[2-(cyclopropylmethoxy)ethyl-methylamino]-2,2-dimethyl-3-oxopropanoic acid
CID 82821123
(2S)-2-amino-N-[2-(cyclopropylmethoxy)ethyl]-N-methyl-2-phenylacetamide
CID 104898158
2-acetamido-N-[2-(cyclopropylmethoxy)ethyl]-N-methyl-3-sulfanylpropanamide
CID 107769716
tert-butyl N-[3-amino-2-[2-(cyclopropylmethoxy)ethyl-methylamino]propyl]carbamate
CID 102730363
N-[2-(cyclopropylmethoxy)ethyl]-N-methyl-3-sulfanylpropanamide
CID 107032708
N-[2-(cyclopropylmethoxy)ethyl]-2-(cyclopropylmethylamino)-N-methylacetamide;hydrochloride
CID 119813290

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-[2-(cyclopropylmethoxy)ethyl]-N,4,4-trimethylpentanamide?
The IUPAC name of 2-(aminomethyl)-N-[2-(cyclopropylmethoxy)ethyl]-N,4,4-trimethylpentanamide (CID 107472450) is 2-(aminomethyl)-N-[2-(cyclopropylmethoxy)ethyl]-N,4,4-trimethylpentanamide.
What is the SMILES notation for 2-(aminomethyl)-N-[2-(cyclopropylmethoxy)ethyl]-N,4,4-trimethylpentanamide?
The canonical SMILES for 2-(aminomethyl)-N-[2-(cyclopropylmethoxy)ethyl]-N,4,4-trimethylpentanamide is CN(CCOCC1CC1)C(=O)C(CN)CC(C)(C)C.
What is the InChIKey of 2-(aminomethyl)-N-[2-(cyclopropylmethoxy)ethyl]-N,4,4-trimethylpentanamide?
The InChIKey is MZNWQAFXUFWHLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O2/c1-15(2,3)9-13(10-16)14(18)17(4)7-8-19-11-12-5-6-12/h12-13H,5-11,16H2,1-4H3.
What are the key properties of 2-(aminomethyl)-N-[2-(cyclopropylmethoxy)ethyl]-N,4,4-trimethylpentanamide?
2-(aminomethyl)-N-[2-(cyclopropylmethoxy)ethyl]-N,4,4-trimethylpentanamide has a molecular weight of 270.42 g/mol, XLogP of 1.88, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-[2-(cyclopropylmethoxy)ethyl]-N,4,4-trimethylpentanamide is sourced from PubChem (CID 107472450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).