[1-(aminomethyl)-3-ethylcyclohexyl]-pyridin-3-ylmethanol

C15H24N2O — CID 79135100

IUPAC[1-(aminomethyl)-3-ethylcyclohexyl]-pyridin-3-ylmethanol
SMILESCCC1CCCC(CN)(C(O)c2cccnc2)C1
InChIInChI=1S/C15H24N2O/c1-2-12-5-3-7-15(9-12,11-16)14(18)13-6-4-8-17-10-13/h4,6,8,10,12,14,18H,2-3,5,7,9,11,16H2,1H3
InChIKeyCUFRJYWBCAFFJQ-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.66
Rot. Bonds4

About [1-(aminomethyl)-3-ethylcyclohexyl]-pyridin-3-ylmethanol

[1-(aminomethyl)-3-ethylcyclohexyl]-pyridin-3-ylmethanol (PubChem CID 79135100) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is [1-(aminomethyl)-3-ethylcyclohexyl]-pyridin-3-ylmethanol.

Molecular Properties

Compound Name[1-(aminomethyl)-3-ethylcyclohexyl]-pyridin-3-ylmethanol
PubChem CID79135100
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name[1-(aminomethyl)-3-ethylcyclohexyl]-pyridin-3-ylmethanol
SMILESCCC1CCCC(CN)(C(O)c2cccnc2)C1
InChIInChI=1S/C15H24N2O/c1-2-12-5-3-7-15(9-12,11-16)14(18)13-6-4-8-17-10-13/h4,6,8,10,12,14,18H,2-3,5,7,9,11,16H2,1H3
InChIKeyCUFRJYWBCAFFJQ-UHFFFAOYSA-N
XLogP2.66
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(aminomethyl)-3-ethylcyclohexyl]-phenylmethanol
CID 79135617
[1-(aminomethyl)-3-ethylcyclohexyl]-[3-(difluoromethyl)phenyl]methanol
CID 115530085
[3-(aminomethyl)oxan-3-yl]-pyridin-3-ylmethanol
CID 103715992
[4-(aminomethyl)oxan-4-yl]-pyridin-3-ylmethanol
CID 79134625
[1-(aminomethyl)-3-ethylcyclohexyl]-(2,3-dichlorophenyl)methanol
CID 79138325
[1-(aminomethyl)-3-ethylcyclohexyl]-(1,3-dimethylpyrazol-4-yl)methanol
CID 83094813
[1-(aminomethyl)-3-ethylcyclopentyl]-(3-cyclopropylphenyl)methanol
CID 79977381
[1-(aminomethyl)-3-ethylcyclohexyl]-(3-bromofuran-2-yl)methanol
CID 106889658
[1-(aminomethyl)-3-ethylcyclohexyl]-(2,4-difluorophenyl)methanol
CID 79138448
[1-(aminomethyl)-3-ethylcyclohexyl]-(4-bromo-2-fluorophenyl)methanol
CID 79137679
[1-(aminomethyl)-3-ethylcyclohexyl]-[5-(2-methylcyclopropyl)furan-2-yl]methanol
CID 79124113
1-[1-(aminomethyl)-3-ethylcyclohexyl]-2-methylbutan-1-ol
CID 79139004

Frequently Asked Questions

What is the IUPAC name of [1-(aminomethyl)-3-ethylcyclohexyl]-pyridin-3-ylmethanol?
The IUPAC name of [1-(aminomethyl)-3-ethylcyclohexyl]-pyridin-3-ylmethanol (CID 79135100) is [1-(aminomethyl)-3-ethylcyclohexyl]-pyridin-3-ylmethanol.
What is the SMILES notation for [1-(aminomethyl)-3-ethylcyclohexyl]-pyridin-3-ylmethanol?
The canonical SMILES for [1-(aminomethyl)-3-ethylcyclohexyl]-pyridin-3-ylmethanol is CCC1CCCC(CN)(C(O)c2cccnc2)C1.
What is the InChIKey of [1-(aminomethyl)-3-ethylcyclohexyl]-pyridin-3-ylmethanol?
The InChIKey is CUFRJYWBCAFFJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-2-12-5-3-7-15(9-12,11-16)14(18)13-6-4-8-17-10-13/h4,6,8,10,12,14,18H,2-3,5,7,9,11,16H2,1H3.
What are the key properties of [1-(aminomethyl)-3-ethylcyclohexyl]-pyridin-3-ylmethanol?
[1-(aminomethyl)-3-ethylcyclohexyl]-pyridin-3-ylmethanol has a molecular weight of 248.37 g/mol, XLogP of 2.66, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(aminomethyl)-3-ethylcyclohexyl]-pyridin-3-ylmethanol is sourced from PubChem (CID 79135100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).