cis-(1S,5R)-3,3,5-trimethyl-5-[(pyridin-2-ylamino)methyl]cyclohexan-1-ol

C15H24N2O — CID 70689435

IUPACcis-(1S,5R)-3,3,5-trimethyl-5-[(pyridin-2-ylamino)methyl]cyclohexan-1-ol
SMILESCC1(C)C[C@H](O)C[C@](C)(CNc2ccccn2)C1
InChIInChI=1S/C15H24N2O/c1-14(2)8-12(18)9-15(3,10-14)11-17-13-6-4-5-7-16-13/h4-7,12,18H,8-11H2,1-3H3,(H,16,17)/t12-,15-/m0/s1
InChIKeyBRIHRVYZYCHTFX-WFASDCNBSA-N
MW248.37 g/mol
LogP3.07
Rot. Bonds3

About cis-(1S,5R)-3,3,5-trimethyl-5-[(pyridin-2-ylamino)methyl]cyclohexan-1-ol

cis-(1S,5R)-3,3,5-trimethyl-5-[(pyridin-2-ylamino)methyl]cyclohexan-1-ol (PubChem CID 70689435) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is cis-(1S,5R)-3,3,5-trimethyl-5-[(pyridin-2-ylamino)methyl]cyclohexan-1-ol.

Molecular Properties

Compound Namecis-(1S,5R)-3,3,5-trimethyl-5-[(pyridin-2-ylamino)methyl]cyclohexan-1-ol
PubChem CID70689435
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Namecis-(1S,5R)-3,3,5-trimethyl-5-[(pyridin-2-ylamino)methyl]cyclohexan-1-ol
SMILESCC1(C)C[C@H](O)C[C@](C)(CNc2ccccn2)C1
InChIInChI=1S/C15H24N2O/c1-14(2)8-12(18)9-15(3,10-14)11-17-13-6-4-5-7-16-13/h4-7,12,18H,8-11H2,1-3H3,(H,16,17)/t12-,15-/m0/s1
InChIKeyBRIHRVYZYCHTFX-WFASDCNBSA-N
XLogP3.07
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of cis-(1S,5R)-3,3,5-trimethyl-5-[(pyridin-2-ylamino)methyl]cyclohexan-1-ol?
The IUPAC name of cis-(1S,5R)-3,3,5-trimethyl-5-[(pyridin-2-ylamino)methyl]cyclohexan-1-ol (CID 70689435) is cis-(1S,5R)-3,3,5-trimethyl-5-[(pyridin-2-ylamino)methyl]cyclohexan-1-ol.
What is the SMILES notation for cis-(1S,5R)-3,3,5-trimethyl-5-[(pyridin-2-ylamino)methyl]cyclohexan-1-ol?
The canonical SMILES for cis-(1S,5R)-3,3,5-trimethyl-5-[(pyridin-2-ylamino)methyl]cyclohexan-1-ol is CC1(C)C[C@H](O)C[C@](C)(CNc2ccccn2)C1.
What is the InChIKey of cis-(1S,5R)-3,3,5-trimethyl-5-[(pyridin-2-ylamino)methyl]cyclohexan-1-ol?
The InChIKey is BRIHRVYZYCHTFX-WFASDCNBSA-N. The full InChI is InChI=1S/C15H24N2O/c1-14(2)8-12(18)9-15(3,10-14)11-17-13-6-4-5-7-16-13/h4-7,12,18H,8-11H2,1-3H3,(H,16,17)/t12-,15-/m0/s1.
What are the key properties of cis-(1S,5R)-3,3,5-trimethyl-5-[(pyridin-2-ylamino)methyl]cyclohexan-1-ol?
cis-(1S,5R)-3,3,5-trimethyl-5-[(pyridin-2-ylamino)methyl]cyclohexan-1-ol has a molecular weight of 248.37 g/mol, XLogP of 3.07, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,5R)-3,3,5-trimethyl-5-[(pyridin-2-ylamino)methyl]cyclohexan-1-ol is sourced from PubChem (CID 70689435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).