(2S)-2-amino-3,3-dimethyl-N,N-bis(2-methylpropyl)butanamide

C14H30N2O — CID 61154062

IUPAC(2S)-2-amino-3,3-dimethyl-N,N-bis(2-methylpropyl)butanamide
SMILESCC(C)CN(CC(C)C)C(=O)[C@@H](N)C(C)(C)C
InChIInChI=1S/C14H30N2O/c1-10(2)8-16(9-11(3)4)13(17)12(15)14(5,6)7/h10-12H,8-9,15H2,1-7H3/t12-/m1/s1
InChIKeySTUZBDVQQAALHY-GFCCVEGCSA-N
MW242.41 g/mol
LogP2.50
Rot. Bonds5

About (2S)-2-amino-3,3-dimethyl-N,N-bis(2-methylpropyl)butanamide

(2S)-2-amino-3,3-dimethyl-N,N-bis(2-methylpropyl)butanamide (PubChem CID 61154062) has the molecular formula C14H30N2O and a molecular weight of 242.41 g/mol. Its IUPAC name is (2S)-2-amino-3,3-dimethyl-N,N-bis(2-methylpropyl)butanamide.

Molecular Properties

Compound Name(2S)-2-amino-3,3-dimethyl-N,N-bis(2-methylpropyl)butanamide
PubChem CID61154062
Molecular FormulaC14H30N2O
Molecular Weight242.41 g/mol
Exact Mass242.24
IUPAC Name(2S)-2-amino-3,3-dimethyl-N,N-bis(2-methylpropyl)butanamide
SMILESCC(C)CN(CC(C)C)C(=O)[C@@H](N)C(C)(C)C
InChIInChI=1S/C14H30N2O/c1-10(2)8-16(9-11(3)4)13(17)12(15)14(5,6)7/h10-12H,8-9,15H2,1-7H3/t12-/m1/s1
InChIKeySTUZBDVQQAALHY-GFCCVEGCSA-N
XLogP2.50
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.41
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3,3-dimethyl-N,N-bis(2-methylpropyl)butanamide?
The IUPAC name of (2S)-2-amino-3,3-dimethyl-N,N-bis(2-methylpropyl)butanamide (CID 61154062) is (2S)-2-amino-3,3-dimethyl-N,N-bis(2-methylpropyl)butanamide.
What is the SMILES notation for (2S)-2-amino-3,3-dimethyl-N,N-bis(2-methylpropyl)butanamide?
The canonical SMILES for (2S)-2-amino-3,3-dimethyl-N,N-bis(2-methylpropyl)butanamide is CC(C)CN(CC(C)C)C(=O)[C@@H](N)C(C)(C)C.
What is the InChIKey of (2S)-2-amino-3,3-dimethyl-N,N-bis(2-methylpropyl)butanamide?
The InChIKey is STUZBDVQQAALHY-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H30N2O/c1-10(2)8-16(9-11(3)4)13(17)12(15)14(5,6)7/h10-12H,8-9,15H2,1-7H3/t12-/m1/s1.
What are the key properties of (2S)-2-amino-3,3-dimethyl-N,N-bis(2-methylpropyl)butanamide?
(2S)-2-amino-3,3-dimethyl-N,N-bis(2-methylpropyl)butanamide has a molecular weight of 242.41 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3,3-dimethyl-N,N-bis(2-methylpropyl)butanamide is sourced from PubChem (CID 61154062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).