2-[(6-amino-5,5-dimethylhexyl)-propan-2-ylamino]acetamide

C13H29N3O — CID 106708016

IUPAC2-[(6-amino-5,5-dimethylhexyl)-propan-2-ylamino]acetamide
SMILESCC(C)N(CCCCC(C)(C)CN)CC(N)=O
InChIInChI=1S/C13H29N3O/c1-11(2)16(9-12(15)17)8-6-5-7-13(3,4)10-14/h11H,5-10,14H2,1-4H3,(H2,15,17)
InChIKeyFHLHXKUUSIVCKU-UHFFFAOYSA-N
MW243.39 g/mol
LogP1.34
Rot. Bonds9

About 2-[(6-amino-5,5-dimethylhexyl)-propan-2-ylamino]acetamide

2-[(6-amino-5,5-dimethylhexyl)-propan-2-ylamino]acetamide (PubChem CID 106708016) has the molecular formula C13H29N3O and a molecular weight of 243.39 g/mol. Its IUPAC name is 2-[(6-amino-5,5-dimethylhexyl)-propan-2-ylamino]acetamide.

Molecular Properties

Compound Name2-[(6-amino-5,5-dimethylhexyl)-propan-2-ylamino]acetamide
PubChem CID106708016
Molecular FormulaC13H29N3O
Molecular Weight243.39 g/mol
Exact Mass243.23
IUPAC Name2-[(6-amino-5,5-dimethylhexyl)-propan-2-ylamino]acetamide
SMILESCC(C)N(CCCCC(C)(C)CN)CC(N)=O
InChIInChI=1S/C13H29N3O/c1-11(2)16(9-12(15)17)8-6-5-7-13(3,4)10-14/h11H,5-10,14H2,1-4H3,(H2,15,17)
InChIKeyFHLHXKUUSIVCKU-UHFFFAOYSA-N
XLogP1.34
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[(6-amino-5,5-dimethylhexyl)-propan-2-ylamino]acetamide 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-aminoethyl(propan-2-yl)amino]acetamide
CID 61348378
2-[(4-amino-3,3-dimethylbutyl)-(2-amino-2-oxoethyl)amino]acetamide
CID 65246887
3-[(4-amino-3,3-dimethylbutyl)-propan-2-ylamino]propan-1-ol
CID 65247313
2-[(4-amino-3,3-dimethylbutyl)-(2-methylpropyl)amino]acetamide
CID 65246940
3-[(2-amino-2-oxoethyl)-propan-2-ylamino]-N-(3-aminopropyl)-N-methylpropanamide
CID 54988932
1-[3-aminopropyl(propan-2-yl)amino]propan-2-one
CID 89029623
1-[(6-amino-5,5-dimethylhexyl)-methylamino]propan-2-ol
CID 106708066
methyl 2-[(6-amino-5,5-dimethylhexyl)-(2-methoxy-2-oxoethyl)amino]acetate
CID 106708104
2-[(6-amino-5,5-dimethylhexyl)-pentan-3-ylamino]ethanol
CID 106708019
N'-(cyclopropylmethyl)-2,2-dimethyl-N'-propan-2-ylpentane-1,5-diamine
CID 65254258
2-[propan-2-yl(3-sulfanylbutyl)amino]acetamide
CID 170206201
1-amino-6-[ethyl(propan-2-yl)amino]-2-methylhexan-2-ol
CID 64820439

Frequently Asked Questions

What is the IUPAC name of 2-[(6-amino-5,5-dimethylhexyl)-propan-2-ylamino]acetamide?
The IUPAC name of 2-[(6-amino-5,5-dimethylhexyl)-propan-2-ylamino]acetamide (CID 106708016) is 2-[(6-amino-5,5-dimethylhexyl)-propan-2-ylamino]acetamide.
What is the SMILES notation for 2-[(6-amino-5,5-dimethylhexyl)-propan-2-ylamino]acetamide?
The canonical SMILES for 2-[(6-amino-5,5-dimethylhexyl)-propan-2-ylamino]acetamide is CC(C)N(CCCCC(C)(C)CN)CC(N)=O.
What is the InChIKey of 2-[(6-amino-5,5-dimethylhexyl)-propan-2-ylamino]acetamide?
The InChIKey is FHLHXKUUSIVCKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N3O/c1-11(2)16(9-12(15)17)8-6-5-7-13(3,4)10-14/h11H,5-10,14H2,1-4H3,(H2,15,17).
What are the key properties of 2-[(6-amino-5,5-dimethylhexyl)-propan-2-ylamino]acetamide?
2-[(6-amino-5,5-dimethylhexyl)-propan-2-ylamino]acetamide has a molecular weight of 243.39 g/mol, XLogP of 1.34, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-amino-5,5-dimethylhexyl)-propan-2-ylamino]acetamide is sourced from PubChem (CID 106708016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).