N-[(2S)-1-aminohexan-2-yl]-2,3-dimethylbutanamide

C12H26N2O — CID 171627931

IUPACN-[(2S)-1-aminohexan-2-yl]-2,3-dimethylbutanamide
SMILESCCCC[C@@H](CN)NC(=O)C(C)C(C)C
InChIInChI=1S/C12H26N2O/c1-5-6-7-11(8-13)14-12(15)10(4)9(2)3/h9-11H,5-8,13H2,1-4H3,(H,14,15)/t10?,11-/m0/s1
InChIKeySZJCPJUCDODVRX-DTIOYNMSSA-N
MW214.35 g/mol
LogP1.91
Rot. Bonds7

About N-[(2S)-1-aminohexan-2-yl]-2,3-dimethylbutanamide

N-[(2S)-1-aminohexan-2-yl]-2,3-dimethylbutanamide (PubChem CID 171627931) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is N-[(2S)-1-aminohexan-2-yl]-2,3-dimethylbutanamide.

Molecular Properties

Compound NameN-[(2S)-1-aminohexan-2-yl]-2,3-dimethylbutanamide
PubChem CID171627931
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC NameN-[(2S)-1-aminohexan-2-yl]-2,3-dimethylbutanamide
SMILESCCCC[C@@H](CN)NC(=O)C(C)C(C)C
InChIInChI=1S/C12H26N2O/c1-5-6-7-11(8-13)14-12(15)10(4)9(2)3/h9-11H,5-8,13H2,1-4H3,(H,14,15)/t10?,11-/m0/s1
InChIKeySZJCPJUCDODVRX-DTIOYNMSSA-N
XLogP1.91
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
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

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CID 119666195
3-(1-aminohexan-2-yl)-1,1-dimethylurea
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CID 114875681
N-[(2R)-1-aminopropan-2-yl]-2,3-dimethylbutanamide
CID 104873144
N'-(1-aminohexan-2-yl)-N-ethylpentanediamide;hydrochloride
CID 119668224
N-(1-amino-4-methylpentan-2-yl)-2-ethylhexanamide
CID 55243513
(2S)-2-amino-N-octan-4-ylpropanamide;hydrochloride
CID 119342416
N-(1-aminohexan-2-yl)-2,2,4-trimethylpentanamide;hydrochloride
CID 119666304
5-amino-2-methyl-N-octan-4-ylpentanamide
CID 106025739
N-[1-(1-aminohexan-2-ylamino)-3-methyl-1-oxobutan-2-yl]-4-chlorobenzamide;hydrochloride
CID 119668459
N-(1-aminohexan-2-yl)-2-(5-chlorothiophen-2-yl)propanamide
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N-(1-aminohexan-2-yl)-2-methylsulfanyl-2-phenylacetamide
CID 119667243

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-aminohexan-2-yl]-2,3-dimethylbutanamide?
The IUPAC name of N-[(2S)-1-aminohexan-2-yl]-2,3-dimethylbutanamide (CID 171627931) is N-[(2S)-1-aminohexan-2-yl]-2,3-dimethylbutanamide.
What is the SMILES notation for N-[(2S)-1-aminohexan-2-yl]-2,3-dimethylbutanamide?
The canonical SMILES for N-[(2S)-1-aminohexan-2-yl]-2,3-dimethylbutanamide is CCCC[C@@H](CN)NC(=O)C(C)C(C)C.
What is the InChIKey of N-[(2S)-1-aminohexan-2-yl]-2,3-dimethylbutanamide?
The InChIKey is SZJCPJUCDODVRX-DTIOYNMSSA-N. The full InChI is InChI=1S/C12H26N2O/c1-5-6-7-11(8-13)14-12(15)10(4)9(2)3/h9-11H,5-8,13H2,1-4H3,(H,14,15)/t10?,11-/m0/s1.
What are the key properties of N-[(2S)-1-aminohexan-2-yl]-2,3-dimethylbutanamide?
N-[(2S)-1-aminohexan-2-yl]-2,3-dimethylbutanamide has a molecular weight of 214.35 g/mol, XLogP of 1.91, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-aminohexan-2-yl]-2,3-dimethylbutanamide is sourced from PubChem (CID 171627931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).