amino-[(5R)-5-cyclohexyl-3,4-dimethylcyclohex-3-en-1-yl]methanol

C15H27NO — CID 121286678

IUPACamino-[(5R)-5-cyclohexyl-3,4-dimethylcyclohex-3-en-1-yl]methanol
SMILESCC1=C(C)[C@@H](C2CCCCC2)CC(C(N)O)C1
InChIInChI=1S/C15H27NO/c1-10-8-13(15(16)17)9-14(11(10)2)12-6-4-3-5-7-12/h12-15,17H,3-9,16H2,1-2H3/t13?,14-,15?/m0/s1
InChIKeyORUIOYNAABEWMS-SLTAFYQDSA-N
MW237.39 g/mol
LogP3.21
Rot. Bonds2

About amino-[(5R)-5-cyclohexyl-3,4-dimethylcyclohex-3-en-1-yl]methanol

amino-[(5R)-5-cyclohexyl-3,4-dimethylcyclohex-3-en-1-yl]methanol (PubChem CID 121286678) has the molecular formula C15H27NO and a molecular weight of 237.39 g/mol. Its IUPAC name is amino-[(5R)-5-cyclohexyl-3,4-dimethylcyclohex-3-en-1-yl]methanol.

Molecular Properties

Compound Nameamino-[(5R)-5-cyclohexyl-3,4-dimethylcyclohex-3-en-1-yl]methanol
PubChem CID121286678
Molecular FormulaC15H27NO
Molecular Weight237.39 g/mol
Exact Mass237.21
IUPAC Nameamino-[(5R)-5-cyclohexyl-3,4-dimethylcyclohex-3-en-1-yl]methanol
SMILESCC1=C(C)[C@@H](C2CCCCC2)CC(C(N)O)C1
InChIInChI=1S/C15H27NO/c1-10-8-13(15(16)17)9-14(11(10)2)12-6-4-3-5-7-12/h12-15,17H,3-9,16H2,1-2H3/t13?,14-,15?/m0/s1
InChIKeyORUIOYNAABEWMS-SLTAFYQDSA-N
XLogP3.21
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of amino-[(5R)-5-cyclohexyl-3,4-dimethylcyclohex-3-en-1-yl]methanol?
The IUPAC name of amino-[(5R)-5-cyclohexyl-3,4-dimethylcyclohex-3-en-1-yl]methanol (CID 121286678) is amino-[(5R)-5-cyclohexyl-3,4-dimethylcyclohex-3-en-1-yl]methanol.
What is the SMILES notation for amino-[(5R)-5-cyclohexyl-3,4-dimethylcyclohex-3-en-1-yl]methanol?
The canonical SMILES for amino-[(5R)-5-cyclohexyl-3,4-dimethylcyclohex-3-en-1-yl]methanol is CC1=C(C)[C@@H](C2CCCCC2)CC(C(N)O)C1.
What is the InChIKey of amino-[(5R)-5-cyclohexyl-3,4-dimethylcyclohex-3-en-1-yl]methanol?
The InChIKey is ORUIOYNAABEWMS-SLTAFYQDSA-N. The full InChI is InChI=1S/C15H27NO/c1-10-8-13(15(16)17)9-14(11(10)2)12-6-4-3-5-7-12/h12-15,17H,3-9,16H2,1-2H3/t13?,14-,15?/m0/s1.
What are the key properties of amino-[(5R)-5-cyclohexyl-3,4-dimethylcyclohex-3-en-1-yl]methanol?
amino-[(5R)-5-cyclohexyl-3,4-dimethylcyclohex-3-en-1-yl]methanol has a molecular weight of 237.39 g/mol, XLogP of 3.21, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for amino-[(5R)-5-cyclohexyl-3,4-dimethylcyclohex-3-en-1-yl]methanol is sourced from PubChem (CID 121286678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).