(1R,2S,5R)-1-(aminomethyl)-5-methyl-2-propan-2-ylcyclohexan-1-ol

C11H23NO — CID 101131922

IUPAC(1R,2S,5R)-1-(aminomethyl)-5-methyl-2-propan-2-ylcyclohexan-1-ol
SMILESCC(C)[C@@H]1CC[C@@H](C)C[C@]1(O)CN
InChIInChI=1S/C11H23NO/c1-8(2)10-5-4-9(3)6-11(10,13)7-12/h8-10,13H,4-7,12H2,1-3H3/t9-,10+,11+/m1/s1
InChIKeyNUGSZQQEORQBRB-VWYCJHECSA-N
MW185.31 g/mol
LogP1.77
Rot. Bonds2

About (1R,2S,5R)-1-(aminomethyl)-5-methyl-2-propan-2-ylcyclohexan-1-ol

(1R,2S,5R)-1-(aminomethyl)-5-methyl-2-propan-2-ylcyclohexan-1-ol (PubChem CID 101131922) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is (1R,2S,5R)-1-(aminomethyl)-5-methyl-2-propan-2-ylcyclohexan-1-ol.

Molecular Properties

Compound Name(1R,2S,5R)-1-(aminomethyl)-5-methyl-2-propan-2-ylcyclohexan-1-ol
PubChem CID101131922
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC Name(1R,2S,5R)-1-(aminomethyl)-5-methyl-2-propan-2-ylcyclohexan-1-ol
SMILESCC(C)[C@@H]1CC[C@@H](C)C[C@]1(O)CN
InChIInChI=1S/C11H23NO/c1-8(2)10-5-4-9(3)6-11(10,13)7-12/h8-10,13H,4-7,12H2,1-3H3/t9-,10+,11+/m1/s1
InChIKeyNUGSZQQEORQBRB-VWYCJHECSA-N
XLogP1.77
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R,2S,5R)-1-(aminomethyl)-5-methyl-2-propan-2-ylcyclohexan-1-ol?
The IUPAC name of (1R,2S,5R)-1-(aminomethyl)-5-methyl-2-propan-2-ylcyclohexan-1-ol (CID 101131922) is (1R,2S,5R)-1-(aminomethyl)-5-methyl-2-propan-2-ylcyclohexan-1-ol.
What is the SMILES notation for (1R,2S,5R)-1-(aminomethyl)-5-methyl-2-propan-2-ylcyclohexan-1-ol?
The canonical SMILES for (1R,2S,5R)-1-(aminomethyl)-5-methyl-2-propan-2-ylcyclohexan-1-ol is CC(C)[C@@H]1CC[C@@H](C)C[C@]1(O)CN.
What is the InChIKey of (1R,2S,5R)-1-(aminomethyl)-5-methyl-2-propan-2-ylcyclohexan-1-ol?
The InChIKey is NUGSZQQEORQBRB-VWYCJHECSA-N. The full InChI is InChI=1S/C11H23NO/c1-8(2)10-5-4-9(3)6-11(10,13)7-12/h8-10,13H,4-7,12H2,1-3H3/t9-,10+,11+/m1/s1.
What are the key properties of (1R,2S,5R)-1-(aminomethyl)-5-methyl-2-propan-2-ylcyclohexan-1-ol?
(1R,2S,5R)-1-(aminomethyl)-5-methyl-2-propan-2-ylcyclohexan-1-ol has a molecular weight of 185.31 g/mol, XLogP of 1.77, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,5R)-1-(aminomethyl)-5-methyl-2-propan-2-ylcyclohexan-1-ol is sourced from PubChem (CID 101131922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).