(2R)-2-amino-3,3-dimethyl-N-(2-methylpropyl)-N-pentan-3-ylbutanamide

C15H32N2O — CID 103930183

IUPAC(2R)-2-amino-3,3-dimethyl-N-(2-methylpropyl)-N-pentan-3-ylbutanamide
SMILESCCC(CC)N(CC(C)C)C(=O)[C@H](N)C(C)(C)C
InChIInChI=1S/C15H32N2O/c1-8-12(9-2)17(10-11(3)4)14(18)13(16)15(5,6)7/h11-13H,8-10,16H2,1-7H3/t13-/m0/s1
InChIKeyKLNFJLABRJEFCN-ZDUSSCGKSA-N
MW256.43 g/mol
LogP3.03
Rot. Bonds6

About (2R)-2-amino-3,3-dimethyl-N-(2-methylpropyl)-N-pentan-3-ylbutanamide

(2R)-2-amino-3,3-dimethyl-N-(2-methylpropyl)-N-pentan-3-ylbutanamide (PubChem CID 103930183) has the molecular formula C15H32N2O and a molecular weight of 256.43 g/mol. Its IUPAC name is (2R)-2-amino-3,3-dimethyl-N-(2-methylpropyl)-N-pentan-3-ylbutanamide.

Molecular Properties

Compound Name(2R)-2-amino-3,3-dimethyl-N-(2-methylpropyl)-N-pentan-3-ylbutanamide
PubChem CID103930183
Molecular FormulaC15H32N2O
Molecular Weight256.43 g/mol
Exact Mass256.25
IUPAC Name(2R)-2-amino-3,3-dimethyl-N-(2-methylpropyl)-N-pentan-3-ylbutanamide
SMILESCCC(CC)N(CC(C)C)C(=O)[C@H](N)C(C)(C)C
InChIInChI=1S/C15H32N2O/c1-8-12(9-2)17(10-11(3)4)14(18)13(16)15(5,6)7/h11-13H,8-10,16H2,1-7H3/t13-/m0/s1
InChIKeyKLNFJLABRJEFCN-ZDUSSCGKSA-N
XLogP3.03
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.43
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S,3S)-2-amino-3-methyl-N-(2-methylpropyl)-N-pentan-3-ylpentanamide
CID 79491812
3-amino-4-[2-methylpropyl(pentan-3-yl)amino]-4-oxobutanoic acid
CID 79490276
3-amino-2-methyl-N-(2-methylpropyl)-N-pentan-3-yl-3-sulfanylidenepropanamide
CID 79490067
2-(N'-hydroxycarbamimidoyl)-3-methyl-N-(2-methylpropyl)-N-pentan-3-ylbutanamide
CID 79491505
2-[tert-butyl-[2-methylpropyl(pentan-3-yl)carbamoyl]amino]acetic acid
CID 79488647
2-(aminomethyl)-2-ethyl-N-(2-methylpropyl)-N-pentan-3-ylbutanamide
CID 79483073
(2S)-2-amino-N-(2-methylpropyl)-N-propan-2-ylbutanamide
CID 79024707
(2R)-2-amino-3,3-dimethyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)butanamide
CID 103929257
(2S)-2-amino-N-ethyl-N-(2-ethylbutyl)-3,3-dimethylbutanamide
CID 61156136
(2S)-2-amino-N-ethyl-N,3,3-trimethylbutanamide
CID 61154665
2-amino-N-(1-hydroxypropan-2-yl)-N,3,3-trimethylbutanamide
CID 104551690
4,4-dimethyl-3-N-(2-methylpropyl)-3-N-pentan-3-ylpentane-2,3-diamine
CID 79483348

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-3,3-dimethyl-N-(2-methylpropyl)-N-pentan-3-ylbutanamide?
The IUPAC name of (2R)-2-amino-3,3-dimethyl-N-(2-methylpropyl)-N-pentan-3-ylbutanamide (CID 103930183) is (2R)-2-amino-3,3-dimethyl-N-(2-methylpropyl)-N-pentan-3-ylbutanamide.
What is the SMILES notation for (2R)-2-amino-3,3-dimethyl-N-(2-methylpropyl)-N-pentan-3-ylbutanamide?
The canonical SMILES for (2R)-2-amino-3,3-dimethyl-N-(2-methylpropyl)-N-pentan-3-ylbutanamide is CCC(CC)N(CC(C)C)C(=O)[C@H](N)C(C)(C)C.
What is the InChIKey of (2R)-2-amino-3,3-dimethyl-N-(2-methylpropyl)-N-pentan-3-ylbutanamide?
The InChIKey is KLNFJLABRJEFCN-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H32N2O/c1-8-12(9-2)17(10-11(3)4)14(18)13(16)15(5,6)7/h11-13H,8-10,16H2,1-7H3/t13-/m0/s1.
What are the key properties of (2R)-2-amino-3,3-dimethyl-N-(2-methylpropyl)-N-pentan-3-ylbutanamide?
(2R)-2-amino-3,3-dimethyl-N-(2-methylpropyl)-N-pentan-3-ylbutanamide has a molecular weight of 256.43 g/mol, XLogP of 3.03, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-3,3-dimethyl-N-(2-methylpropyl)-N-pentan-3-ylbutanamide is sourced from PubChem (CID 103930183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).