6-amino-N-[(2S)-1-hydroxybutan-2-yl]-4,4-dimethylhexanamide

C12H26N2O2 — CID 107222403

IUPAC6-amino-N-[(2S)-1-hydroxybutan-2-yl]-4,4-dimethylhexanamide
SMILESCC[C@@H](CO)NC(=O)CCC(C)(C)CCN
InChIInChI=1S/C12H26N2O2/c1-4-10(9-15)14-11(16)5-6-12(2,3)7-8-13/h10,15H,4-9,13H2,1-3H3,(H,14,16)/t10-/m0/s1
InChIKeyNJCGJMLHEPRPPD-JTQLQIEISA-N
MW230.35 g/mol
LogP1.03
Rot. Bonds8

About 6-amino-N-[(2S)-1-hydroxybutan-2-yl]-4,4-dimethylhexanamide

6-amino-N-[(2S)-1-hydroxybutan-2-yl]-4,4-dimethylhexanamide (PubChem CID 107222403) has the molecular formula C12H26N2O2 and a molecular weight of 230.35 g/mol. Its IUPAC name is 6-amino-N-[(2S)-1-hydroxybutan-2-yl]-4,4-dimethylhexanamide.

Molecular Properties

Compound Name6-amino-N-[(2S)-1-hydroxybutan-2-yl]-4,4-dimethylhexanamide
PubChem CID107222403
Molecular FormulaC12H26N2O2
Molecular Weight230.35 g/mol
Exact Mass230.20
IUPAC Name6-amino-N-[(2S)-1-hydroxybutan-2-yl]-4,4-dimethylhexanamide
SMILESCC[C@@H](CO)NC(=O)CCC(C)(C)CCN
InChIInChI=1S/C12H26N2O2/c1-4-10(9-15)14-11(16)5-6-12(2,3)7-8-13/h10,15H,4-9,13H2,1-3H3,(H,14,16)/t10-/m0/s1
InChIKeyNJCGJMLHEPRPPD-JTQLQIEISA-N
XLogP1.03
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 51.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-hydroxypropan-2-yl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide
CID 11217870
N-(1-hydroxybutan-2-yl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide
CID 11218142
N-(2-hydroxyethyl)-3,5,5-trimethylhexanamide
CID 43501033
CID 135047337
CID 135047337
CID 135047339
CID 135047339
3,3-Diethyl-5-(hydroxymethyl)pyrrolidin-2-one
CID 129672500
3-cyclohexyl-N-(1-hydroxypropan-2-yl)propanamide
CID 43418810
2-Ethyl-N-(2-hydroxyethyl)hexanamide
CID 3028556
Ethylhexanamide serinol
CID 65314993
Canamide
CID 82987698
N-(1-hydroxybutan-2-yl)pentanamide
CID 43417907
CID 135047340
CID 135047340

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-[(2S)-1-hydroxybutan-2-yl]-4,4-dimethylhexanamide?
The IUPAC name of 6-amino-N-[(2S)-1-hydroxybutan-2-yl]-4,4-dimethylhexanamide (CID 107222403) is 6-amino-N-[(2S)-1-hydroxybutan-2-yl]-4,4-dimethylhexanamide.
What is the SMILES notation for 6-amino-N-[(2S)-1-hydroxybutan-2-yl]-4,4-dimethylhexanamide?
The canonical SMILES for 6-amino-N-[(2S)-1-hydroxybutan-2-yl]-4,4-dimethylhexanamide is CC[C@@H](CO)NC(=O)CCC(C)(C)CCN.
What is the InChIKey of 6-amino-N-[(2S)-1-hydroxybutan-2-yl]-4,4-dimethylhexanamide?
The InChIKey is NJCGJMLHEPRPPD-JTQLQIEISA-N. The full InChI is InChI=1S/C12H26N2O2/c1-4-10(9-15)14-11(16)5-6-12(2,3)7-8-13/h10,15H,4-9,13H2,1-3H3,(H,14,16)/t10-/m0/s1.
What are the key properties of 6-amino-N-[(2S)-1-hydroxybutan-2-yl]-4,4-dimethylhexanamide?
6-amino-N-[(2S)-1-hydroxybutan-2-yl]-4,4-dimethylhexanamide has a molecular weight of 230.35 g/mol, XLogP of 1.03, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-[(2S)-1-hydroxybutan-2-yl]-4,4-dimethylhexanamide is sourced from PubChem (CID 107222403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).