3-[[(5-bromo-2-pyridinyl)amino]methyl]-3,5,5-trimethylcyclohexan-1-ol

C15H23BrN2O — CID 53344799

IUPAC3-[[(5-bromo-2-pyridinyl)amino]methyl]-3,5,5-trimethylcyclohexan-1-ol
SMILESCC1(C)CC(O)CC(C)(CNc2ccc(Br)cn2)C1
InChIInChI=1S/C15H23BrN2O/c1-14(2)6-12(19)7-15(3,9-14)10-18-13-5-4-11(16)8-17-13/h4-5,8,12,19H,6-7,9-10H2,1-3H3,(H,17,18)
InChIKeyHZWFSCOENNVXAX-UHFFFAOYSA-N
MW327.27 g/mol
LogP3.83
Rot. Bonds3

About 3-[[(5-bromo-2-pyridinyl)amino]methyl]-3,5,5-trimethylcyclohexan-1-ol

3-[[(5-bromo-2-pyridinyl)amino]methyl]-3,5,5-trimethylcyclohexan-1-ol (PubChem CID 53344799) has the molecular formula C15H23BrN2O and a molecular weight of 327.27 g/mol. Its IUPAC name is 3-[[(5-bromo-2-pyridinyl)amino]methyl]-3,5,5-trimethylcyclohexan-1-ol.

Molecular Properties

Compound Name3-[[(5-bromo-2-pyridinyl)amino]methyl]-3,5,5-trimethylcyclohexan-1-ol
PubChem CID53344799
Molecular FormulaC15H23BrN2O
Molecular Weight327.27 g/mol
Exact Mass326.10
IUPAC Name3-[[(5-bromo-2-pyridinyl)amino]methyl]-3,5,5-trimethylcyclohexan-1-ol
SMILESCC1(C)CC(O)CC(C)(CNc2ccc(Br)cn2)C1
InChIInChI=1S/C15H23BrN2O/c1-14(2)6-12(19)7-15(3,9-14)10-18-13-5-4-11(16)8-17-13/h4-5,8,12,19H,6-7,9-10H2,1-3H3,(H,17,18)
InChIKeyHZWFSCOENNVXAX-UHFFFAOYSA-N
XLogP3.83
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.27
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[[(5-bromo-2-pyridinyl)amino]methyl]-3,5,5-trimethylcyclohexan-1-ol with MolForge

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Related Compounds

3-[[(4,6-dimethylpyrimidin-2-yl)amino]methyl]-3,5,5-trimethylcyclohexan-1-ol
CID 53344921
2-[[(5-bromo-2-pyridinyl)amino]methyl]-2-methylcyclohexan-1-ol
CID 133344187
3-[(5-bromo-2-pyridinyl)methyl]-3-methylcyclopentan-1-ol
CID 116539892
N'-(5-bromo-2-pyridinyl)-N-propylethane-1,2-diamine
CID 62662670
5-bromo-N-[(1-methylsulfanylcyclohexyl)methyl]pyridin-2-amine
CID 114117145
5-methoxy-N-[(1-methylcyclopropyl)methyl]pyridin-2-amine
CID 107143616
1-[(5-bromo-2-pyridinyl)methyl]-2,4,4-trimethylcyclopentan-1-ol
CID 106663812
5-bromo-N-(2-ethylsulfinylethyl)pyridin-2-amine
CID 115642455
5-bromo-N-[[1-(chloromethyl)cyclopentyl]methyl]pyridin-2-amine
CID 115363614
5-bromo-N-(piperidin-4-ylmethyl)pyridin-2-amine;hydrochloride
CID 71636378
5-bromo-N-pent-4-ynylpyridin-2-amine
CID 103704439
N-(5-bromo-2-pyridinyl)-N',2-dimethylpropane-1,3-diamine
CID 115303018

Frequently Asked Questions

What is the IUPAC name of 3-[[(5-bromo-2-pyridinyl)amino]methyl]-3,5,5-trimethylcyclohexan-1-ol?
The IUPAC name of 3-[[(5-bromo-2-pyridinyl)amino]methyl]-3,5,5-trimethylcyclohexan-1-ol (CID 53344799) is 3-[[(5-bromo-2-pyridinyl)amino]methyl]-3,5,5-trimethylcyclohexan-1-ol.
What is the SMILES notation for 3-[[(5-bromo-2-pyridinyl)amino]methyl]-3,5,5-trimethylcyclohexan-1-ol?
The canonical SMILES for 3-[[(5-bromo-2-pyridinyl)amino]methyl]-3,5,5-trimethylcyclohexan-1-ol is CC1(C)CC(O)CC(C)(CNc2ccc(Br)cn2)C1.
What is the InChIKey of 3-[[(5-bromo-2-pyridinyl)amino]methyl]-3,5,5-trimethylcyclohexan-1-ol?
The InChIKey is HZWFSCOENNVXAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN2O/c1-14(2)6-12(19)7-15(3,9-14)10-18-13-5-4-11(16)8-17-13/h4-5,8,12,19H,6-7,9-10H2,1-3H3,(H,17,18).
What are the key properties of 3-[[(5-bromo-2-pyridinyl)amino]methyl]-3,5,5-trimethylcyclohexan-1-ol?
3-[[(5-bromo-2-pyridinyl)amino]methyl]-3,5,5-trimethylcyclohexan-1-ol has a molecular weight of 327.27 g/mol, XLogP of 3.83, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(5-bromo-2-pyridinyl)amino]methyl]-3,5,5-trimethylcyclohexan-1-ol is sourced from PubChem (CID 53344799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).