2-[[2-(aminomethyl)-3-methylbutyl]amino]-N-methylacetamide

C9H21N3O — CID 107441337

IUPAC2-[[2-(aminomethyl)-3-methylbutyl]amino]-N-methylacetamide
SMILESCNC(=O)CNCC(CN)C(C)C
InChIInChI=1S/C9H21N3O/c1-7(2)8(4-10)5-12-6-9(13)11-3/h7-8,12H,4-6,10H2,1-3H3,(H,11,13)
InChIKeyVCUYFZALRJLZMR-UHFFFAOYSA-N
MW187.29 g/mol
LogP-0.45
Rot. Bonds6

About 2-[[2-(aminomethyl)-3-methylbutyl]amino]-N-methylacetamide

2-[[2-(aminomethyl)-3-methylbutyl]amino]-N-methylacetamide (PubChem CID 107441337) has the molecular formula C9H21N3O and a molecular weight of 187.29 g/mol. Its IUPAC name is 2-[[2-(aminomethyl)-3-methylbutyl]amino]-N-methylacetamide.

Molecular Properties

Compound Name2-[[2-(aminomethyl)-3-methylbutyl]amino]-N-methylacetamide
PubChem CID107441337
Molecular FormulaC9H21N3O
Molecular Weight187.29 g/mol
Exact Mass187.17
IUPAC Name2-[[2-(aminomethyl)-3-methylbutyl]amino]-N-methylacetamide
SMILESCNC(=O)CNCC(CN)C(C)C
InChIInChI=1S/C9H21N3O/c1-7(2)8(4-10)5-12-6-9(13)11-3/h7-8,12H,4-6,10H2,1-3H3,(H,11,13)
InChIKeyVCUYFZALRJLZMR-UHFFFAOYSA-N
XLogP-0.45
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.29
LogP ≤ 5-0.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-[[2-(aminomethyl)-3-methylbutyl]amino]-N-methylacetamide 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-[[2-(aminomethyl)-3-methylbutyl]amino]-N-tert-butylacetamide
CID 107442563
2-(2,3-dimethylbutylamino)-N-methylacetamide
CID 64568537
3-[[2-(aminomethyl)-3-methylbutyl]amino]propanamide
CID 107441377
2-[4-[[2-(aminomethyl)-3-methylbutyl]amino]piperidin-1-yl]-N-methylacetamide
CID 107441533
3-[[2-(aminomethyl)-3-methylbutyl]amino]-N,N-dimethylpropanamide
CID 107441879
N-methyl-2-[[2-(3-methylbutan-2-ylamino)-2-oxoethyl]amino]acetamide
CID 60695644
N-methyl-2-[(3-methyl-2-phenylbutyl)amino]acetamide
CID 107875908
2-propan-2-yl-N'-prop-2-enylpropane-1,3-diamine
CID 107440897
tert-butyl N-[1-[[2-(aminomethyl)-3-methylbutyl]amino]propan-2-yl]carbamate
CID 107442960
3-[[[2-(aminomethyl)-3-methylbutyl]amino]methyl]pentan-1-ol
CID 107442461
2-[[2-(dimethylamino)-2-oxoethyl]amino]-N-methylacetamide
CID 43214721
2-propan-2-yl-N'-(2-pyrrolidin-1-ylethyl)propane-1,3-diamine
CID 107441168

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(aminomethyl)-3-methylbutyl]amino]-N-methylacetamide?
The IUPAC name of 2-[[2-(aminomethyl)-3-methylbutyl]amino]-N-methylacetamide (CID 107441337) is 2-[[2-(aminomethyl)-3-methylbutyl]amino]-N-methylacetamide.
What is the SMILES notation for 2-[[2-(aminomethyl)-3-methylbutyl]amino]-N-methylacetamide?
The canonical SMILES for 2-[[2-(aminomethyl)-3-methylbutyl]amino]-N-methylacetamide is CNC(=O)CNCC(CN)C(C)C.
What is the InChIKey of 2-[[2-(aminomethyl)-3-methylbutyl]amino]-N-methylacetamide?
The InChIKey is VCUYFZALRJLZMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N3O/c1-7(2)8(4-10)5-12-6-9(13)11-3/h7-8,12H,4-6,10H2,1-3H3,(H,11,13).
What are the key properties of 2-[[2-(aminomethyl)-3-methylbutyl]amino]-N-methylacetamide?
2-[[2-(aminomethyl)-3-methylbutyl]amino]-N-methylacetamide has a molecular weight of 187.29 g/mol, XLogP of -0.45, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(aminomethyl)-3-methylbutyl]amino]-N-methylacetamide is sourced from PubChem (CID 107441337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).