(1S,3S,4S)-3-amino-4-hydroxy-N,N-dimethylcyclohexane-1-carboxamide

C9H18N2O2 — CID 170648409

IUPAC(1S,3S,4S)-3-amino-4-hydroxy-N,N-dimethylcyclohexane-1-carboxamide
SMILESCN(C)C(=O)[C@H]1CC[C@H](O)[C@@H](N)C1
InChIInChI=1S/C9H18N2O2/c1-11(2)9(13)6-3-4-8(12)7(10)5-6/h6-8,12H,3-5,10H2,1-2H3/t6-,7-,8-/m0/s1
InChIKeyHHEDGPYDVXTDSR-FXQIFTODSA-N
MW186.25 g/mol
LogP-0.44
Rot. Bonds1

About (1S,3S,4S)-3-amino-4-hydroxy-N,N-dimethylcyclohexane-1-carboxamide

(1S,3S,4S)-3-amino-4-hydroxy-N,N-dimethylcyclohexane-1-carboxamide (PubChem CID 170648409) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is (1S,3S,4S)-3-amino-4-hydroxy-N,N-dimethylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name(1S,3S,4S)-3-amino-4-hydroxy-N,N-dimethylcyclohexane-1-carboxamide
PubChem CID170648409
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC Name(1S,3S,4S)-3-amino-4-hydroxy-N,N-dimethylcyclohexane-1-carboxamide
SMILESCN(C)C(=O)[C@H]1CC[C@H](O)[C@@H](N)C1
InChIInChI=1S/C9H18N2O2/c1-11(2)9(13)6-3-4-8(12)7(10)5-6/h6-8,12H,3-5,10H2,1-2H3/t6-,7-,8-/m0/s1
InChIKeyHHEDGPYDVXTDSR-FXQIFTODSA-N
XLogP-0.44
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 5-0.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1S,3S,4S)-3-amino-4-hydroxy-N,N-dimethylcyclohexane-1-carboxamide?
The IUPAC name of (1S,3S,4S)-3-amino-4-hydroxy-N,N-dimethylcyclohexane-1-carboxamide (CID 170648409) is (1S,3S,4S)-3-amino-4-hydroxy-N,N-dimethylcyclohexane-1-carboxamide.
What is the SMILES notation for (1S,3S,4S)-3-amino-4-hydroxy-N,N-dimethylcyclohexane-1-carboxamide?
The canonical SMILES for (1S,3S,4S)-3-amino-4-hydroxy-N,N-dimethylcyclohexane-1-carboxamide is CN(C)C(=O)[C@H]1CC[C@H](O)[C@@H](N)C1.
What is the InChIKey of (1S,3S,4S)-3-amino-4-hydroxy-N,N-dimethylcyclohexane-1-carboxamide?
The InChIKey is HHEDGPYDVXTDSR-FXQIFTODSA-N. The full InChI is InChI=1S/C9H18N2O2/c1-11(2)9(13)6-3-4-8(12)7(10)5-6/h6-8,12H,3-5,10H2,1-2H3/t6-,7-,8-/m0/s1.
What are the key properties of (1S,3S,4S)-3-amino-4-hydroxy-N,N-dimethylcyclohexane-1-carboxamide?
(1S,3S,4S)-3-amino-4-hydroxy-N,N-dimethylcyclohexane-1-carboxamide has a molecular weight of 186.25 g/mol, XLogP of -0.44, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,3S,4S)-3-amino-4-hydroxy-N,N-dimethylcyclohexane-1-carboxamide is sourced from PubChem (CID 170648409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).