2-(aminomethyl)-N-[2-[cyclopropyl(methyl)amino]ethyl]-2-methylbutanamide

C12H25N3O — CID 114290664

IUPAC2-(aminomethyl)-N-[2-[cyclopropyl(methyl)amino]ethyl]-2-methylbutanamide
SMILESCCC(C)(CN)C(=O)NCCN(C)C1CC1
InChIInChI=1S/C12H25N3O/c1-4-12(2,9-13)11(16)14-7-8-15(3)10-5-6-10/h10H,4-9,13H2,1-3H3,(H,14,16)
InChIKeyNUIBWRXEFOJOSZ-UHFFFAOYSA-N
MW227.35 g/mol
LogP0.57
Rot. Bonds7

About 2-(aminomethyl)-N-[2-[cyclopropyl(methyl)amino]ethyl]-2-methylbutanamide

2-(aminomethyl)-N-[2-[cyclopropyl(methyl)amino]ethyl]-2-methylbutanamide (PubChem CID 114290664) has the molecular formula C12H25N3O and a molecular weight of 227.35 g/mol. Its IUPAC name is 2-(aminomethyl)-N-[2-[cyclopropyl(methyl)amino]ethyl]-2-methylbutanamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-[2-[cyclopropyl(methyl)amino]ethyl]-2-methylbutanamide
PubChem CID114290664
Molecular FormulaC12H25N3O
Molecular Weight227.35 g/mol
Exact Mass227.20
IUPAC Name2-(aminomethyl)-N-[2-[cyclopropyl(methyl)amino]ethyl]-2-methylbutanamide
SMILESCCC(C)(CN)C(=O)NCCN(C)C1CC1
InChIInChI=1S/C12H25N3O/c1-4-12(2,9-13)11(16)14-7-8-15(3)10-5-6-10/h10H,4-9,13H2,1-3H3,(H,14,16)
InChIKeyNUIBWRXEFOJOSZ-UHFFFAOYSA-N
XLogP0.57
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]-2,2-dimethylpropanamide;dihydrochloride
CID 119863852
2-amino-N-[2-[cyclopentyl(methyl)amino]ethyl]-2-methylbutanamide
CID 79812015
2-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]acetamide
CID 62059016
N-[2-[cyclopropyl(methyl)amino]ethyl]-2,2,3,3,3-pentafluoropropanamide
CID 114038176
2-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]-3,3-dimethylbutanamide
CID 76979692
(2S)-2-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]-3,3-dimethylbutanamide;dihydrochloride
CID 119863863
2-(aminomethyl)-N-ethyl-2-methylbutanamide
CID 114290216
2-(aminomethyl)-N-(2-methoxyethyl)-2-methylbutanamide
CID 114290208
2-[2-[cyclopropyl(methyl)amino]ethylcarbamoyl-ethylamino]-2-methylpropanoic acid
CID 62978545
(2S)-2-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]pentanamide
CID 107569640
2-amino-N-[2-[cyclopentyl(methyl)amino]ethyl]-2-phenylpropanamide
CID 63316114
N'-(cyanomethyl)-N-[2-[cyclopropyl(methyl)amino]ethyl]oxamide
CID 62978700

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-[2-[cyclopropyl(methyl)amino]ethyl]-2-methylbutanamide?
The IUPAC name of 2-(aminomethyl)-N-[2-[cyclopropyl(methyl)amino]ethyl]-2-methylbutanamide (CID 114290664) is 2-(aminomethyl)-N-[2-[cyclopropyl(methyl)amino]ethyl]-2-methylbutanamide.
What is the SMILES notation for 2-(aminomethyl)-N-[2-[cyclopropyl(methyl)amino]ethyl]-2-methylbutanamide?
The canonical SMILES for 2-(aminomethyl)-N-[2-[cyclopropyl(methyl)amino]ethyl]-2-methylbutanamide is CCC(C)(CN)C(=O)NCCN(C)C1CC1.
What is the InChIKey of 2-(aminomethyl)-N-[2-[cyclopropyl(methyl)amino]ethyl]-2-methylbutanamide?
The InChIKey is NUIBWRXEFOJOSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O/c1-4-12(2,9-13)11(16)14-7-8-15(3)10-5-6-10/h10H,4-9,13H2,1-3H3,(H,14,16).
What are the key properties of 2-(aminomethyl)-N-[2-[cyclopropyl(methyl)amino]ethyl]-2-methylbutanamide?
2-(aminomethyl)-N-[2-[cyclopropyl(methyl)amino]ethyl]-2-methylbutanamide has a molecular weight of 227.35 g/mol, XLogP of 0.57, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-[2-[cyclopropyl(methyl)amino]ethyl]-2-methylbutanamide is sourced from PubChem (CID 114290664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).