2-[[2-(aminomethyl)-3-methylbutyl]amino]-N-tert-butylacetamide

C12H27N3O — CID 107442563

IUPAC2-[[2-(aminomethyl)-3-methylbutyl]amino]-N-tert-butylacetamide
SMILESCC(C)C(CN)CNCC(=O)NC(C)(C)C
InChIInChI=1S/C12H27N3O/c1-9(2)10(6-13)7-14-8-11(16)15-12(3,4)5/h9-10,14H,6-8,13H2,1-5H3,(H,15,16)
InChIKeyNGXAWCFCDWDVFT-UHFFFAOYSA-N
MW229.37 g/mol
LogP0.72
Rot. Bonds6

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

2-[[2-(aminomethyl)-3-methylbutyl]amino]-N-tert-butylacetamide (PubChem CID 107442563) has the molecular formula C12H27N3O and a molecular weight of 229.37 g/mol. Its IUPAC name is 2-[[2-(aminomethyl)-3-methylbutyl]amino]-N-tert-butylacetamide.

Molecular Properties

Compound Name2-[[2-(aminomethyl)-3-methylbutyl]amino]-N-tert-butylacetamide
PubChem CID107442563
Molecular FormulaC12H27N3O
Molecular Weight229.37 g/mol
Exact Mass229.22
IUPAC Name2-[[2-(aminomethyl)-3-methylbutyl]amino]-N-tert-butylacetamide
SMILESCC(C)C(CN)CNCC(=O)NC(C)(C)C
InChIInChI=1S/C12H27N3O/c1-9(2)10(6-13)7-14-8-11(16)15-12(3,4)5/h9-10,14H,6-8,13H2,1-5H3,(H,15,16)
InChIKeyNGXAWCFCDWDVFT-UHFFFAOYSA-N
XLogP0.72
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.37
LogP ≤ 50.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-[[2-(aminomethyl)-3-methylbutyl]amino]-N-tert-butylacetamide 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-methylacetamide
CID 107441337
tert-butyl N-[2-[[[2-(tert-butylamino)-2-oxoethyl]amino]methyl]-3-methylbutyl]carbamate
CID 107442562
ethyl 3-[[2-(tert-butylamino)-2-oxoethyl]amino]-2-methylpropanoate
CID 115356417
2-amino-3-[[2-(tert-butylamino)-2-oxoethyl]amino]propanamide
CID 103260238
4-amino-N-tert-butyl-3-methylbutanamide
CID 81071972
N-tert-butyl-2-(2-hydroxybutylamino)acetamide
CID 115356599
N-tert-butyl-2-(3,3-dimethylbutan-2-ylamino)acetamide
CID 115627468
tert-butyl 4-[[[2-(aminomethyl)-3-methylbutyl]amino]methyl]-4-methylpiperidine-1-carboxylate
CID 107442987
3-[[2-(aminomethyl)-3-methylbutyl]amino]propanamide
CID 107441377
tert-butyl N-[1-[[2-(aminomethyl)-3-methylbutyl]amino]propan-2-yl]carbamate
CID 107442960
propan-2-yl 2-[[2-(tert-butylamino)-2-oxoethyl]amino]acetate
CID 115356445
N-butan-2-yl-2-[[2-(tert-butylamino)-2-oxoethyl]amino]acetamide
CID 113219551

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(aminomethyl)-3-methylbutyl]amino]-N-tert-butylacetamide?
The IUPAC name of 2-[[2-(aminomethyl)-3-methylbutyl]amino]-N-tert-butylacetamide (CID 107442563) is 2-[[2-(aminomethyl)-3-methylbutyl]amino]-N-tert-butylacetamide.
What is the SMILES notation for 2-[[2-(aminomethyl)-3-methylbutyl]amino]-N-tert-butylacetamide?
The canonical SMILES for 2-[[2-(aminomethyl)-3-methylbutyl]amino]-N-tert-butylacetamide is CC(C)C(CN)CNCC(=O)NC(C)(C)C.
What is the InChIKey of 2-[[2-(aminomethyl)-3-methylbutyl]amino]-N-tert-butylacetamide?
The InChIKey is NGXAWCFCDWDVFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N3O/c1-9(2)10(6-13)7-14-8-11(16)15-12(3,4)5/h9-10,14H,6-8,13H2,1-5H3,(H,15,16).
What are the key properties of 2-[[2-(aminomethyl)-3-methylbutyl]amino]-N-tert-butylacetamide?
2-[[2-(aminomethyl)-3-methylbutyl]amino]-N-tert-butylacetamide has a molecular weight of 229.37 g/mol, XLogP of 0.72, 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-tert-butylacetamide is sourced from PubChem (CID 107442563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).