[(1R,3R,4R)-4-amino-2,2,3-trimethylcyclohexyl]methanol

C10H21NO — CID 98289832

IUPAC[(1R,3R,4R)-4-amino-2,2,3-trimethylcyclohexyl]methanol
SMILESC[C@H]1[C@H](N)CC[C@@H](CO)C1(C)C
InChIInChI=1S/C10H21NO/c1-7-9(11)5-4-8(6-12)10(7,2)3/h7-9,12H,4-6,11H2,1-3H3/t7-,8-,9+/m0/s1
InChIKeyWJVBQTINNYBSQR-XHNCKOQMSA-N
MW171.28 g/mol
LogP1.38
Rot. Bonds1

About [(1R,3R,4R)-4-amino-2,2,3-trimethylcyclohexyl]methanol

[(1R,3R,4R)-4-amino-2,2,3-trimethylcyclohexyl]methanol (PubChem CID 98289832) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is [(1R,3R,4R)-4-amino-2,2,3-trimethylcyclohexyl]methanol.

Molecular Properties

Compound Name[(1R,3R,4R)-4-amino-2,2,3-trimethylcyclohexyl]methanol
PubChem CID98289832
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Name[(1R,3R,4R)-4-amino-2,2,3-trimethylcyclohexyl]methanol
SMILESC[C@H]1[C@H](N)CC[C@@H](CO)C1(C)C
InChIInChI=1S/C10H21NO/c1-7-9(11)5-4-8(6-12)10(7,2)3/h7-9,12H,4-6,11H2,1-3H3/t7-,8-,9+/m0/s1
InChIKeyWJVBQTINNYBSQR-XHNCKOQMSA-N
XLogP1.38
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze [(1R,3R,4R)-4-amino-2,2,3-trimethylcyclohexyl]methanol with MolForge

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Related Compounds

4-[[bis(cyclopropylmethyl)amino]methyl]-2,3,3-trimethylcyclohexan-1-amine
CID 102627905
4-(azepan-1-ylmethyl)-2,3,3-trimethylcyclohexan-1-amine
CID 102627583
4-[[cyclohexylmethyl(methyl)amino]methyl]-2,3,3-trimethylcyclohexan-1-amine
CID 102627741
2,3,3-trimethyl-4-[[(1-methylcyclopentyl)methylamino]methyl]cyclohexan-1-amine
CID 102627893
4-[(3-cyclopropylpropylamino)methyl]-2,3,3-trimethylcyclohexan-1-amine
CID 102628023
4-amino-N-ethyl-N,2,2,3-tetramethylcyclohexane-1-carboxamide
CID 102628336
4-[[cyclopropyl(3-methylbutyl)amino]methyl]-2,3,3-trimethylcyclohexan-1-amine
CID 102627783
4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylmethyl)-2,3,3-trimethylcyclohexan-1-amine
CID 102627661
4-[[ethyl(2-methylbutyl)amino]methyl]-2,3,3-trimethylcyclohexan-1-amine
CID 102627942
2,3,3-trimethyl-4-[(oxolan-2-ylmethylamino)methyl]cyclohexan-1-amine
CID 102627692
2,3,3-trimethyl-4-[(oxan-2-ylmethylamino)methyl]cyclohexan-1-amine
CID 102627798
(4-amino-2,2,3-trimethylcyclohexyl)-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methanone
CID 102780666

Frequently Asked Questions

What is the IUPAC name of [(1R,3R,4R)-4-amino-2,2,3-trimethylcyclohexyl]methanol?
The IUPAC name of [(1R,3R,4R)-4-amino-2,2,3-trimethylcyclohexyl]methanol (CID 98289832) is [(1R,3R,4R)-4-amino-2,2,3-trimethylcyclohexyl]methanol.
What is the SMILES notation for [(1R,3R,4R)-4-amino-2,2,3-trimethylcyclohexyl]methanol?
The canonical SMILES for [(1R,3R,4R)-4-amino-2,2,3-trimethylcyclohexyl]methanol is C[C@H]1[C@H](N)CC[C@@H](CO)C1(C)C.
What is the InChIKey of [(1R,3R,4R)-4-amino-2,2,3-trimethylcyclohexyl]methanol?
The InChIKey is WJVBQTINNYBSQR-XHNCKOQMSA-N. The full InChI is InChI=1S/C10H21NO/c1-7-9(11)5-4-8(6-12)10(7,2)3/h7-9,12H,4-6,11H2,1-3H3/t7-,8-,9+/m0/s1.
What are the key properties of [(1R,3R,4R)-4-amino-2,2,3-trimethylcyclohexyl]methanol?
[(1R,3R,4R)-4-amino-2,2,3-trimethylcyclohexyl]methanol has a molecular weight of 171.28 g/mol, XLogP of 1.38, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,3R,4R)-4-amino-2,2,3-trimethylcyclohexyl]methanol is sourced from PubChem (CID 98289832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).