[(1R,3R)-3-(aminomethyl)cyclohexyl]methanol

C8H17NO — CID 124563459

IUPAC[(1R,3R)-3-(aminomethyl)cyclohexyl]methanol
SMILESNC[C@@H]1CCC[C@@H](CO)C1
InChIInChI=1S/C8H17NO/c9-5-7-2-1-3-8(4-7)6-10/h7-8,10H,1-6,9H2/t7-,8-/m1/s1
InChIKeyOZWKJPQKSZQGOJ-HTQZYQBOSA-N
MW143.23 g/mol
LogP0.74
Rot. Bonds2

About [(1R,3R)-3-(aminomethyl)cyclohexyl]methanol

[(1R,3R)-3-(aminomethyl)cyclohexyl]methanol (PubChem CID 124563459) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is [(1R,3R)-3-(aminomethyl)cyclohexyl]methanol.

Molecular Properties

Compound Name[(1R,3R)-3-(aminomethyl)cyclohexyl]methanol
PubChem CID124563459
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC Name[(1R,3R)-3-(aminomethyl)cyclohexyl]methanol
SMILESNC[C@@H]1CCC[C@@H](CO)C1
InChIInChI=1S/C8H17NO/c9-5-7-2-1-3-8(4-7)6-10/h7-8,10H,1-6,9H2/t7-,8-/m1/s1
InChIKeyOZWKJPQKSZQGOJ-HTQZYQBOSA-N
XLogP0.74
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.23
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-amino-3-cyclohexylpropan-1-ol
CID 444569
[3-(Aminomethyl)-5-methylcyclohexyl]methan-1-ol
CID 3107848
2-Amino-1-cyclohexylethan-1-ol
CID 11990554
2-Amino-3-cyclohexylpropan-1-ol
CID 4068950
Cyclohexanemethanol, 4-(aminomethyl)-
CID 70631
3-Amino-3-cyclohexylpropan-1-ol
CID 17039367
(1R)-2-amino-1-cyclohexylethan-1-ol
CID 14178860
(R)-2-Amino-3-cyclohexylpropan-1-ol
CID 40432407
(1S)-2-amino-1-cyclohexylethan-1-ol
CID 51652315
(2R)-2-amino-2-cyclohexylethan-1-ol
CID 13617488
3-Amino-2-cyclohexylpropan-1-ol
CID 15056419
Rac-2-((1r,4r)-4-aminocyclohexyl)ethan-1-ol
CID 21312787

Frequently Asked Questions

What is the IUPAC name of [(1R,3R)-3-(aminomethyl)cyclohexyl]methanol?
The IUPAC name of [(1R,3R)-3-(aminomethyl)cyclohexyl]methanol (CID 124563459) is [(1R,3R)-3-(aminomethyl)cyclohexyl]methanol.
What is the SMILES notation for [(1R,3R)-3-(aminomethyl)cyclohexyl]methanol?
The canonical SMILES for [(1R,3R)-3-(aminomethyl)cyclohexyl]methanol is NC[C@@H]1CCC[C@@H](CO)C1.
What is the InChIKey of [(1R,3R)-3-(aminomethyl)cyclohexyl]methanol?
The InChIKey is OZWKJPQKSZQGOJ-HTQZYQBOSA-N. The full InChI is InChI=1S/C8H17NO/c9-5-7-2-1-3-8(4-7)6-10/h7-8,10H,1-6,9H2/t7-,8-/m1/s1.
What are the key properties of [(1R,3R)-3-(aminomethyl)cyclohexyl]methanol?
[(1R,3R)-3-(aminomethyl)cyclohexyl]methanol has a molecular weight of 143.23 g/mol, XLogP of 0.74, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,3R)-3-(aminomethyl)cyclohexyl]methanol is sourced from PubChem (CID 124563459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).