2-[(4-amino-3,3-dimethylbutyl)-(2-methylpropyl)amino]acetamide

C12H27N3O — CID 65246940

IUPAC2-[(4-amino-3,3-dimethylbutyl)-(2-methylpropyl)amino]acetamide
SMILESCC(C)CN(CCC(C)(C)CN)CC(N)=O
InChIInChI=1S/C12H27N3O/c1-10(2)7-15(8-11(14)16)6-5-12(3,4)9-13/h10H,5-9,13H2,1-4H3,(H2,14,16)
InChIKeyRBHMSUQRYIWGNN-UHFFFAOYSA-N
MW229.37 g/mol
LogP0.80
Rot. Bonds8

About 2-[(4-amino-3,3-dimethylbutyl)-(2-methylpropyl)amino]acetamide

2-[(4-amino-3,3-dimethylbutyl)-(2-methylpropyl)amino]acetamide (PubChem CID 65246940) has the molecular formula C12H27N3O and a molecular weight of 229.37 g/mol. Its IUPAC name is 2-[(4-amino-3,3-dimethylbutyl)-(2-methylpropyl)amino]acetamide.

Molecular Properties

Compound Name2-[(4-amino-3,3-dimethylbutyl)-(2-methylpropyl)amino]acetamide
PubChem CID65246940
Molecular FormulaC12H27N3O
Molecular Weight229.37 g/mol
Exact Mass229.22
IUPAC Name2-[(4-amino-3,3-dimethylbutyl)-(2-methylpropyl)amino]acetamide
SMILESCC(C)CN(CCC(C)(C)CN)CC(N)=O
InChIInChI=1S/C12H27N3O/c1-10(2)7-15(8-11(14)16)6-5-12(3,4)9-13/h10H,5-9,13H2,1-4H3,(H2,14,16)
InChIKeyRBHMSUQRYIWGNN-UHFFFAOYSA-N
XLogP0.80
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.37
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-amino-3,3-dimethylbutyl)-(2-amino-2-oxoethyl)amino]acetamide
CID 65246887
N'-[2-(dimethylamino)ethyl]-2,2-dimethyl-N'-(2-methylpropyl)butane-1,4-diamine
CID 65247053
2-[(6-amino-5,5-dimethylhexyl)-propan-2-ylamino]acetamide
CID 106708016
2-[3-cyanopropyl(2-methylpropyl)amino]acetamide
CID 60969371
hydrazinyl 3-[(2-amino-2-oxoethyl)-(2-methylpropyl)amino]propanoate
CID 66338779
1-amino-4-[ethyl(2-methylpropyl)amino]-2-methylbutan-2-ol
CID 64820540
2-[2-methylpropyl(prop-2-ynyl)amino]acetamide
CID 60969370
1-amino-5-[bis(2-methylpropyl)amino]-2-methylpentan-2-ol
CID 64820002
2-[2-methylpropyl(3,3,3-trifluoropropyl)amino]acetic acid
CID 64566123
2-[(2-carbamothioyl-3,3,3-trifluoropropyl)-(2-methylpropyl)amino]acetamide
CID 103368655
N',N',2,2-tetramethylbutane-1,4-diamine
CID 65250173
2-[2-methylpropyl(2-phenylsulfanylethyl)amino]acetamide
CID 78962175

Frequently Asked Questions

What is the IUPAC name of 2-[(4-amino-3,3-dimethylbutyl)-(2-methylpropyl)amino]acetamide?
The IUPAC name of 2-[(4-amino-3,3-dimethylbutyl)-(2-methylpropyl)amino]acetamide (CID 65246940) is 2-[(4-amino-3,3-dimethylbutyl)-(2-methylpropyl)amino]acetamide.
What is the SMILES notation for 2-[(4-amino-3,3-dimethylbutyl)-(2-methylpropyl)amino]acetamide?
The canonical SMILES for 2-[(4-amino-3,3-dimethylbutyl)-(2-methylpropyl)amino]acetamide is CC(C)CN(CCC(C)(C)CN)CC(N)=O.
What is the InChIKey of 2-[(4-amino-3,3-dimethylbutyl)-(2-methylpropyl)amino]acetamide?
The InChIKey is RBHMSUQRYIWGNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N3O/c1-10(2)7-15(8-11(14)16)6-5-12(3,4)9-13/h10H,5-9,13H2,1-4H3,(H2,14,16).
What are the key properties of 2-[(4-amino-3,3-dimethylbutyl)-(2-methylpropyl)amino]acetamide?
2-[(4-amino-3,3-dimethylbutyl)-(2-methylpropyl)amino]acetamide has a molecular weight of 229.37 g/mol, XLogP of 0.80, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-amino-3,3-dimethylbutyl)-(2-methylpropyl)amino]acetamide is sourced from PubChem (CID 65246940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).