N-(2-aminoethyl)-3,3-dimethyl-2-propan-2-ylbutanamide

C11H24N2O — CID 166908184

IUPACN-(2-aminoethyl)-3,3-dimethyl-2-propan-2-ylbutanamide
SMILESCC(C)C(C(=O)NCCN)C(C)(C)C
InChIInChI=1S/C11H24N2O/c1-8(2)9(11(3,4)5)10(14)13-7-6-12/h8-9H,6-7,12H2,1-5H3,(H,13,14)
InChIKeyFKCSRORVMIQQSS-UHFFFAOYSA-N
MW200.33 g/mol
LogP1.38
Rot. Bonds4

About N-(2-aminoethyl)-3,3-dimethyl-2-propan-2-ylbutanamide

N-(2-aminoethyl)-3,3-dimethyl-2-propan-2-ylbutanamide (PubChem CID 166908184) has the molecular formula C11H24N2O and a molecular weight of 200.33 g/mol. Its IUPAC name is N-(2-aminoethyl)-3,3-dimethyl-2-propan-2-ylbutanamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-3,3-dimethyl-2-propan-2-ylbutanamide
PubChem CID166908184
Molecular FormulaC11H24N2O
Molecular Weight200.33 g/mol
Exact Mass200.19
IUPAC NameN-(2-aminoethyl)-3,3-dimethyl-2-propan-2-ylbutanamide
SMILESCC(C)C(C(=O)NCCN)C(C)(C)C
InChIInChI=1S/C11H24N2O/c1-8(2)9(11(3,4)5)10(14)13-7-6-12/h8-9H,6-7,12H2,1-5H3,(H,13,14)
InChIKeyFKCSRORVMIQQSS-UHFFFAOYSA-N
XLogP1.38
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.33
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 61250987
N-(2-aminoethyl)-4-methyl-2-propan-2-ylpentanamide
CID 118593084
3,3-dimethyl-N-(2-oxopropyl)-2-propan-2-ylbutanamide;3,3-dimethyl-2-propan-2-yl-N-(2-sulfamoylethyl)butanamide;methane
CID 162172859
1-N,1-N,1-N-tris(2-aminoethyl)ethane-1,1,1-tricarboxamide
CID 15388023
3-amino-N-(2-aminoethyl)-2,2,3-trimethylbutanamide
CID 65270025
(2S,3R,4S,5R)-N,N'-bis(2-aminoethyl)-2,3,4,5-tetrahydroxyhexanediamide
CID 59188977
N-(2-aminoethyl)-2,2-dimethylpropanamide;hydrochloride
CID 47002886
methyl 3-hydroxy-3-methyl-2-propan-2-ylpentanoate
CID 62395625
tert-butyl N-[(2S)-1-(2-aminoethylamino)-3-hydroxy-1-oxopropan-2-yl]carbamate
CID 10800508
(2R)-2-(2-aminoethylcarbamoylamino)-3,3-dimethylbutanoic acid
CID 103927689
(2S)-2-(2-aminoethylamino)-N-[4-[[(2S)-2-(2-aminoethylamino)-3-methylbutanoyl]amino]butyl]-3-methylbutanamide
CID 101373817
1-(2-aminoethyl)-3-propan-2-ylurea
CID 13030915

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-3,3-dimethyl-2-propan-2-ylbutanamide?
The IUPAC name of N-(2-aminoethyl)-3,3-dimethyl-2-propan-2-ylbutanamide (CID 166908184) is N-(2-aminoethyl)-3,3-dimethyl-2-propan-2-ylbutanamide.
What is the SMILES notation for N-(2-aminoethyl)-3,3-dimethyl-2-propan-2-ylbutanamide?
The canonical SMILES for N-(2-aminoethyl)-3,3-dimethyl-2-propan-2-ylbutanamide is CC(C)C(C(=O)NCCN)C(C)(C)C.
What is the InChIKey of N-(2-aminoethyl)-3,3-dimethyl-2-propan-2-ylbutanamide?
The InChIKey is FKCSRORVMIQQSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O/c1-8(2)9(11(3,4)5)10(14)13-7-6-12/h8-9H,6-7,12H2,1-5H3,(H,13,14).
What are the key properties of N-(2-aminoethyl)-3,3-dimethyl-2-propan-2-ylbutanamide?
N-(2-aminoethyl)-3,3-dimethyl-2-propan-2-ylbutanamide has a molecular weight of 200.33 g/mol, XLogP of 1.38, 4 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-dimethyl-2-propan-2-ylbutanamide is sourced from PubChem (CID 166908184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).