N-(2-aminoethyl)-3,3-dimethylbutanamide

C8H18N2O — CID 16790460

IUPACN-(2-aminoethyl)-3,3-dimethylbutanamide
SMILESCC(C)(C)CC(=O)NCCN
InChIInChI=1S/C8H18N2O/c1-8(2,3)6-7(11)10-5-4-9/h4-6,9H2,1-3H3,(H,10,11)
InChIKeyRLJXITRFMXNZHH-UHFFFAOYSA-N
MW158.24 g/mol
LogP0.50
Rot. Bonds3

About N-(2-aminoethyl)-3,3-dimethylbutanamide

N-(2-aminoethyl)-3,3-dimethylbutanamide (PubChem CID 16790460) has the molecular formula C8H18N2O and a molecular weight of 158.24 g/mol. Its IUPAC name is N-(2-aminoethyl)-3,3-dimethylbutanamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-3,3-dimethylbutanamide
PubChem CID16790460
Molecular FormulaC8H18N2O
Molecular Weight158.24 g/mol
Exact Mass158.14
IUPAC NameN-(2-aminoethyl)-3,3-dimethylbutanamide
SMILESCC(C)(C)CC(=O)NCCN
InChIInChI=1S/C8H18N2O/c1-8(2,3)6-7(11)10-5-4-9/h4-6,9H2,1-3H3,(H,10,11)
InChIKeyRLJXITRFMXNZHH-UHFFFAOYSA-N
XLogP0.50
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.24
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-Amino-N,3,3-trimethylbutanamide
CID 445856
(2S)-2-amino-N-[(1S)-1-cyanoethyl]-3,3-dimethylbutanamide
CID 23645890
(2S)-2-amino-N-[3-[4-(3-aminopropylamino)butylamino]propyl]-3,3-dimethylbutanamide
CID 9861693
2-ethyl-N-[2-(2-ethylbutanoylamino)ethyl]butanamide
CID 228244
N-[2-(butanoylamino)ethyl]butanamide
CID 280045
Butyramide, N-(2-(diethylamino)ethyl)-
CID 44429
N-(2-(Dimethylamino)ethyl)butanamide
CID 198440
2-Amino-N,3,3-Trimethylbutanamide
CID 3496445
3-methyl-N-{2-[(3-methylbutanoyl)amino]propyl}butanamide
CID 2931090
N,N'-1,2-propanediylbis(2,2-dimethylpropanamide)
CID 2932311
N-{2-[(3,3-dimethylbutanoyl)amino]-1-methylethyl}-3,3-dimethylbutanamide
CID 4360846
C3-Amide-C4-NH2
CID 14484861

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-3,3-dimethylbutanamide?
The IUPAC name of N-(2-aminoethyl)-3,3-dimethylbutanamide (CID 16790460) is N-(2-aminoethyl)-3,3-dimethylbutanamide.
What is the SMILES notation for N-(2-aminoethyl)-3,3-dimethylbutanamide?
The canonical SMILES for N-(2-aminoethyl)-3,3-dimethylbutanamide is CC(C)(C)CC(=O)NCCN.
What is the InChIKey of N-(2-aminoethyl)-3,3-dimethylbutanamide?
The InChIKey is RLJXITRFMXNZHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O/c1-8(2,3)6-7(11)10-5-4-9/h4-6,9H2,1-3H3,(H,10,11).
What are the key properties of N-(2-aminoethyl)-3,3-dimethylbutanamide?
N-(2-aminoethyl)-3,3-dimethylbutanamide has a molecular weight of 158.24 g/mol, XLogP of 0.50, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-3,3-dimethylbutanamide is sourced from PubChem (CID 16790460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).