2-(aminomethyl)-N-[2-[butan-2-yl(methyl)amino]ethyl]-3-methylbutanamide

C13H29N3O — CID 107269526

IUPAC2-(aminomethyl)-N-[2-[butan-2-yl(methyl)amino]ethyl]-3-methylbutanamide
SMILESCCC(C)N(C)CCNC(=O)C(CN)C(C)C
InChIInChI=1S/C13H29N3O/c1-6-11(4)16(5)8-7-15-13(17)12(9-14)10(2)3/h10-12H,6-9,14H2,1-5H3,(H,15,17)
InChIKeyTXPMSMVGWISGFH-UHFFFAOYSA-N
MW243.39 g/mol
LogP1.06
Rot. Bonds8

About 2-(aminomethyl)-N-[2-[butan-2-yl(methyl)amino]ethyl]-3-methylbutanamide

2-(aminomethyl)-N-[2-[butan-2-yl(methyl)amino]ethyl]-3-methylbutanamide (PubChem CID 107269526) has the molecular formula C13H29N3O and a molecular weight of 243.39 g/mol. Its IUPAC name is 2-(aminomethyl)-N-[2-[butan-2-yl(methyl)amino]ethyl]-3-methylbutanamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-[2-[butan-2-yl(methyl)amino]ethyl]-3-methylbutanamide
PubChem CID107269526
Molecular FormulaC13H29N3O
Molecular Weight243.39 g/mol
Exact Mass243.23
IUPAC Name2-(aminomethyl)-N-[2-[butan-2-yl(methyl)amino]ethyl]-3-methylbutanamide
SMILESCCC(C)N(C)CCNC(=O)C(CN)C(C)C
InChIInChI=1S/C13H29N3O/c1-6-11(4)16(5)8-7-15-13(17)12(9-14)10(2)3/h10-12H,6-9,14H2,1-5H3,(H,15,17)
InChIKeyTXPMSMVGWISGFH-UHFFFAOYSA-N
XLogP1.06
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(aminomethyl)-N-[2-[butan-2-yl(methyl)amino]ethyl]-3-methylbutanamide 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

(2S)-2-amino-N-[2-[butan-2-yl(methyl)amino]ethyl]propanamide
CID 103814253
3-amino-N-[2-[butan-2-yl(methyl)amino]ethyl]-2-phenylpropanamide
CID 103814209
4-amino-N-[2-[butan-2-yl(methyl)amino]ethyl]butanamide;dihydrochloride
CID 119874323
3-(aminomethyl)-N-[2-[butan-2-yl(methyl)amino]ethyl]pentanamide
CID 114134084
3-amino-N-[2-[butan-2-yl(methyl)amino]ethyl]-4-methylpentanamide
CID 107143404
2-(aminomethyl)-N-[2-[2-(dimethylamino)ethoxy]ethyl]-3-methylbutanamide
CID 114127194
(2S)-2-amino-N-[2-[butan-2-yl(methyl)amino]ethyl]hexanamide
CID 103832053
2-(aminomethyl)-N-(3-aminopropyl)-3-methylbutanamide
CID 65229477
N-[2-[butan-2-yl(methyl)amino]ethyl]-2-(methylamino)acetamide;hydrochloride
CID 120704264
4-[[2-(aminomethyl)-3-methylbutanoyl]amino]butanoic acid
CID 65227720
methyl 3-[[2-(aminomethyl)-3-methylbutanoyl]amino]propanoate
CID 65228791
2,2,2-trifluoroethyl N-[2-[butan-2-yl(methyl)amino]ethyl]carbamate
CID 113230410

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-[2-[butan-2-yl(methyl)amino]ethyl]-3-methylbutanamide?
The IUPAC name of 2-(aminomethyl)-N-[2-[butan-2-yl(methyl)amino]ethyl]-3-methylbutanamide (CID 107269526) is 2-(aminomethyl)-N-[2-[butan-2-yl(methyl)amino]ethyl]-3-methylbutanamide.
What is the SMILES notation for 2-(aminomethyl)-N-[2-[butan-2-yl(methyl)amino]ethyl]-3-methylbutanamide?
The canonical SMILES for 2-(aminomethyl)-N-[2-[butan-2-yl(methyl)amino]ethyl]-3-methylbutanamide is CCC(C)N(C)CCNC(=O)C(CN)C(C)C.
What is the InChIKey of 2-(aminomethyl)-N-[2-[butan-2-yl(methyl)amino]ethyl]-3-methylbutanamide?
The InChIKey is TXPMSMVGWISGFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N3O/c1-6-11(4)16(5)8-7-15-13(17)12(9-14)10(2)3/h10-12H,6-9,14H2,1-5H3,(H,15,17).
What are the key properties of 2-(aminomethyl)-N-[2-[butan-2-yl(methyl)amino]ethyl]-3-methylbutanamide?
2-(aminomethyl)-N-[2-[butan-2-yl(methyl)amino]ethyl]-3-methylbutanamide has a molecular weight of 243.39 g/mol, XLogP of 1.06, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-[2-[butan-2-yl(methyl)amino]ethyl]-3-methylbutanamide is sourced from PubChem (CID 107269526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).