[(1R,3S,5R)-3-(aminomethyl)-5-methylcyclohexyl]methanol

C9H19NO — CID 7329610

IUPAC[(1R,3S,5R)-3-(aminomethyl)-5-methylcyclohexyl]methanol
SMILESC[C@H]1C[C@@H](CO)C[C@@H](CN)C1
InChIInChI=1S/C9H19NO/c1-7-2-8(5-10)4-9(3-7)6-11/h7-9,11H,2-6,10H2,1H3/t7-,8+,9-/m1/s1
InChIKeyOCRWQOBBCGSFAT-HRDYMLBCSA-N
MW157.26 g/mol
LogP0.99
Rot. Bonds2

About [(1R,3S,5R)-3-(aminomethyl)-5-methylcyclohexyl]methanol

[(1R,3S,5R)-3-(aminomethyl)-5-methylcyclohexyl]methanol (PubChem CID 7329610) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is [(1R,3S,5R)-3-(aminomethyl)-5-methylcyclohexyl]methanol.

Molecular Properties

Compound Name[(1R,3S,5R)-3-(aminomethyl)-5-methylcyclohexyl]methanol
PubChem CID7329610
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Name[(1R,3S,5R)-3-(aminomethyl)-5-methylcyclohexyl]methanol
SMILESC[C@H]1C[C@@H](CO)C[C@@H](CN)C1
InChIInChI=1S/C9H19NO/c1-7-2-8(5-10)4-9(3-7)6-11/h7-9,11H,2-6,10H2,1H3/t7-,8+,9-/m1/s1
InChIKeyOCRWQOBBCGSFAT-HRDYMLBCSA-N
XLogP0.99
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(1R,3S,5R)-3-(aminomethyl)-5-methylcyclohexyl]methanol?
The IUPAC name of [(1R,3S,5R)-3-(aminomethyl)-5-methylcyclohexyl]methanol (CID 7329610) is [(1R,3S,5R)-3-(aminomethyl)-5-methylcyclohexyl]methanol.
What is the SMILES notation for [(1R,3S,5R)-3-(aminomethyl)-5-methylcyclohexyl]methanol?
The canonical SMILES for [(1R,3S,5R)-3-(aminomethyl)-5-methylcyclohexyl]methanol is C[C@H]1C[C@@H](CO)C[C@@H](CN)C1.
What is the InChIKey of [(1R,3S,5R)-3-(aminomethyl)-5-methylcyclohexyl]methanol?
The InChIKey is OCRWQOBBCGSFAT-HRDYMLBCSA-N. The full InChI is InChI=1S/C9H19NO/c1-7-2-8(5-10)4-9(3-7)6-11/h7-9,11H,2-6,10H2,1H3/t7-,8+,9-/m1/s1.
What are the key properties of [(1R,3S,5R)-3-(aminomethyl)-5-methylcyclohexyl]methanol?
[(1R,3S,5R)-3-(aminomethyl)-5-methylcyclohexyl]methanol has a molecular weight of 157.26 g/mol, XLogP of 0.99, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,3S,5R)-3-(aminomethyl)-5-methylcyclohexyl]methanol is sourced from PubChem (CID 7329610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).