3-[(3,5-dimethylcyclohexyl)oxymethyl]pyridin-2-amine

C14H22N2O — CID 64730438

IUPAC3-[(3,5-dimethylcyclohexyl)oxymethyl]pyridin-2-amine
SMILESCC1CC(C)CC(OCc2cccnc2N)C1
InChIInChI=1S/C14H22N2O/c1-10-6-11(2)8-13(7-10)17-9-12-4-3-5-16-14(12)15/h3-5,10-11,13H,6-9H2,1-2H3,(H2,15,16)
InChIKeyMDPWPPGXXWZWBZ-UHFFFAOYSA-N
MW234.34 g/mol
LogP3.01
Rot. Bonds3

About 3-[(3,5-dimethylcyclohexyl)oxymethyl]pyridin-2-amine

3-[(3,5-dimethylcyclohexyl)oxymethyl]pyridin-2-amine (PubChem CID 64730438) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 3-[(3,5-dimethylcyclohexyl)oxymethyl]pyridin-2-amine.

Molecular Properties

Compound Name3-[(3,5-dimethylcyclohexyl)oxymethyl]pyridin-2-amine
PubChem CID64730438
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name3-[(3,5-dimethylcyclohexyl)oxymethyl]pyridin-2-amine
SMILESCC1CC(C)CC(OCc2cccnc2N)C1
InChIInChI=1S/C14H22N2O/c1-10-6-11(2)8-13(7-10)17-9-12-4-3-5-16-14(12)15/h3-5,10-11,13H,6-9H2,1-2H3,(H2,15,16)
InChIKeyMDPWPPGXXWZWBZ-UHFFFAOYSA-N
XLogP3.01
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-[(3,5-dimethylcyclohexyl)oxymethyl]-2-fluorophenyl]methanamine
CID 107114159
[2-[(3,5-dimethylcyclohexyl)oxymethyl]phenyl]boronic acid
CID 64729414
2-[(3,5-dimethylcyclohexyl)oxymethyl]benzenecarbothioamide
CID 64728595
1-[(2-amino-3-pyridinyl)methyl]-3,5-dimethylcyclohexan-1-ol
CID 64734968
3-[(4-methylphenoxy)methyl]pyridin-2-amine
CID 62464607
N-[[2-[(3,5-dimethylcyclohexyl)oxymethyl]phenyl]methyl]propan-1-amine
CID 64728649
2-[(3,5-dimethylcyclohexyl)oxymethyl]-N-methylpyridin-4-amine
CID 79259512
3-[(2,6-dimethylpiperidin-1-yl)methyl]pyridin-2-amine
CID 62469656
3-(2-methylpropyl)pyridin-2-amine
CID 20771927
4-[(3,5-dimethylcyclohexyl)oxymethyl]-3-(trifluoromethyl)aniline
CID 81118075
(2-amino-3-pyridinyl)methyl formate
CID 174668609
3-[[methyl-(4-methylcyclohexyl)amino]methyl]pyridin-2-amine
CID 62465216

Frequently Asked Questions

What is the IUPAC name of 3-[(3,5-dimethylcyclohexyl)oxymethyl]pyridin-2-amine?
The IUPAC name of 3-[(3,5-dimethylcyclohexyl)oxymethyl]pyridin-2-amine (CID 64730438) is 3-[(3,5-dimethylcyclohexyl)oxymethyl]pyridin-2-amine.
What is the SMILES notation for 3-[(3,5-dimethylcyclohexyl)oxymethyl]pyridin-2-amine?
The canonical SMILES for 3-[(3,5-dimethylcyclohexyl)oxymethyl]pyridin-2-amine is CC1CC(C)CC(OCc2cccnc2N)C1.
What is the InChIKey of 3-[(3,5-dimethylcyclohexyl)oxymethyl]pyridin-2-amine?
The InChIKey is MDPWPPGXXWZWBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-10-6-11(2)8-13(7-10)17-9-12-4-3-5-16-14(12)15/h3-5,10-11,13H,6-9H2,1-2H3,(H2,15,16).
What are the key properties of 3-[(3,5-dimethylcyclohexyl)oxymethyl]pyridin-2-amine?
3-[(3,5-dimethylcyclohexyl)oxymethyl]pyridin-2-amine has a molecular weight of 234.34 g/mol, XLogP of 3.01, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,5-dimethylcyclohexyl)oxymethyl]pyridin-2-amine is sourced from PubChem (CID 64730438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).