(2S)-2-amino-N-(3,3-dimethylbutyl)-3,3-dimethylbutanamide

C12H26N2O — CID 103808439

IUPAC(2S)-2-amino-N-(3,3-dimethylbutyl)-3,3-dimethylbutanamide
SMILESCC(C)(C)CCNC(=O)[C@@H](N)C(C)(C)C
InChIInChI=1S/C12H26N2O/c1-11(2,3)7-8-14-10(15)9(13)12(4,5)6/h9H,7-8,13H2,1-6H3,(H,14,15)/t9-/m1/s1
InChIKeyQMMVPNJIUXEYQY-SECBINFHSA-N
MW214.35 g/mol
LogP1.91
Rot. Bonds3

About (2S)-2-amino-N-(3,3-dimethylbutyl)-3,3-dimethylbutanamide

(2S)-2-amino-N-(3,3-dimethylbutyl)-3,3-dimethylbutanamide (PubChem CID 103808439) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is (2S)-2-amino-N-(3,3-dimethylbutyl)-3,3-dimethylbutanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(3,3-dimethylbutyl)-3,3-dimethylbutanamide
PubChem CID103808439
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC Name(2S)-2-amino-N-(3,3-dimethylbutyl)-3,3-dimethylbutanamide
SMILESCC(C)(C)CCNC(=O)[C@@H](N)C(C)(C)C
InChIInChI=1S/C12H26N2O/c1-11(2,3)7-8-14-10(15)9(13)12(4,5)6/h9H,7-8,13H2,1-6H3,(H,14,15)/t9-/m1/s1
InChIKeyQMMVPNJIUXEYQY-SECBINFHSA-N
XLogP1.91
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-3,3-dimethyl-N-(3,3,3-trifluoropropyl)butanamide
CID 76988357
N-(2-acetamidoethyl)-2-amino-3,3-dimethylbutanamide
CID 76893602
2-amino-N-[2-(dimethylcarbamoylamino)ethyl]-3,3-dimethylbutanamide
CID 112555904
(2R)-2-amino-N-(4-aminobutyl)-3,3-dimethylbutanamide
CID 103929631
2-amino-N-(4-aminobutyl)-3,3-dimethylbutanamide
CID 76897344
2-amino-3,3-dimethyl-N-(2-methylpropyl)butanamide
CID 76892696
2-amino-N-(3,3-dimethylbutyl)pentanamide
CID 112687728
(2R)-2-amino-3,3-dimethyl-N-(4-methylpentyl)butanamide
CID 103929431
(2S)-2-amino-N-(2,3-dimethylbutyl)-3,3-dimethylbutanamide
CID 64598491
2-amino-N-(3-hydroxypentyl)-3,3-dimethylbutanamide
CID 115751041
(2R)-2-amino-N-(3-methoxypropyl)-3,3-dimethylbutanamide
CID 82671375
2-amino-3,3-dimethyl-N-pent-3-ynylbutanamide
CID 116644023

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(3,3-dimethylbutyl)-3,3-dimethylbutanamide?
The IUPAC name of (2S)-2-amino-N-(3,3-dimethylbutyl)-3,3-dimethylbutanamide (CID 103808439) is (2S)-2-amino-N-(3,3-dimethylbutyl)-3,3-dimethylbutanamide.
What is the SMILES notation for (2S)-2-amino-N-(3,3-dimethylbutyl)-3,3-dimethylbutanamide?
The canonical SMILES for (2S)-2-amino-N-(3,3-dimethylbutyl)-3,3-dimethylbutanamide is CC(C)(C)CCNC(=O)[C@@H](N)C(C)(C)C.
What is the InChIKey of (2S)-2-amino-N-(3,3-dimethylbutyl)-3,3-dimethylbutanamide?
The InChIKey is QMMVPNJIUXEYQY-SECBINFHSA-N. The full InChI is InChI=1S/C12H26N2O/c1-11(2,3)7-8-14-10(15)9(13)12(4,5)6/h9H,7-8,13H2,1-6H3,(H,14,15)/t9-/m1/s1.
What are the key properties of (2S)-2-amino-N-(3,3-dimethylbutyl)-3,3-dimethylbutanamide?
(2S)-2-amino-N-(3,3-dimethylbutyl)-3,3-dimethylbutanamide has a molecular weight of 214.35 g/mol, XLogP of 1.91, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(3,3-dimethylbutyl)-3,3-dimethylbutanamide is sourced from PubChem (CID 103808439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).