[1-(aminomethyl)-4-ethylcyclohexyl]-(oxan-4-yl)methanol

C15H29NO2 — CID 79138758

IUPAC[1-(aminomethyl)-4-ethylcyclohexyl]-(oxan-4-yl)methanol
SMILESCCC1CCC(CN)(C(O)C2CCOCC2)CC1
InChIInChI=1S/C15H29NO2/c1-2-12-3-7-15(11-16,8-4-12)14(17)13-5-9-18-10-6-13/h12-14,17H,2-11,16H2,1H3
InChIKeyWBABURMEZZRIQV-UHFFFAOYSA-N
MW255.40 g/mol
LogP2.32
Rot. Bonds4

About [1-(aminomethyl)-4-ethylcyclohexyl]-(oxan-4-yl)methanol

[1-(aminomethyl)-4-ethylcyclohexyl]-(oxan-4-yl)methanol (PubChem CID 79138758) has the molecular formula C15H29NO2 and a molecular weight of 255.40 g/mol. Its IUPAC name is [1-(aminomethyl)-4-ethylcyclohexyl]-(oxan-4-yl)methanol.

Molecular Properties

Compound Name[1-(aminomethyl)-4-ethylcyclohexyl]-(oxan-4-yl)methanol
PubChem CID79138758
Molecular FormulaC15H29NO2
Molecular Weight255.40 g/mol
Exact Mass255.22
IUPAC Name[1-(aminomethyl)-4-ethylcyclohexyl]-(oxan-4-yl)methanol
SMILESCCC1CCC(CN)(C(O)C2CCOCC2)CC1
InChIInChI=1S/C15H29NO2/c1-2-12-3-7-15(11-16,8-4-12)14(17)13-5-9-18-10-6-13/h12-14,17H,2-11,16H2,1H3
InChIKeyWBABURMEZZRIQV-UHFFFAOYSA-N
XLogP2.32
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.40
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(aminomethyl)-4-ethylcyclohexyl]-(oxan-3-yl)methanol
CID 79138848
(R)-[4-(aminomethyl)oxan-4-yl]-cyclobutylmethanol
CID 97035401
[1-(aminomethyl)-3-ethylcyclohexyl]-(oxolan-3-yl)methanol
CID 79137690
[4-(aminomethyl)oxan-4-yl]-(4-tert-butylcyclohexyl)methanol
CID 104576133
[1-(aminomethyl)-4-propylcyclohexyl]-(4-methylcyclohexyl)methanol
CID 79123292
[1-(aminomethyl)cyclopropyl]-cyclopropylmethanol
CID 102551238
[1-(aminomethyl)-4,4-dimethylcyclohexyl]-(oxolan-3-yl)methanol
CID 79137884
ethyl 2-[1-(aminomethyl)-4-ethylcyclohexyl]-2-hydroxyacetate
CID 79125049
[1-(aminomethyl)-4-ethylcyclohexyl]-(5-methylfuran-2-yl)methanol
CID 79134973
[1-(aminomethyl)-4,4-dimethylcyclohexyl]-cycloheptylmethanol
CID 79126283
[1-(aminomethyl)-4,4-dimethylcyclohexyl]-(oxan-3-yl)methanol
CID 79138934
[3-(aminomethyl)oxolan-3-yl]-(oxolan-3-yl)methanol
CID 79138729

Frequently Asked Questions

What is the IUPAC name of [1-(aminomethyl)-4-ethylcyclohexyl]-(oxan-4-yl)methanol?
The IUPAC name of [1-(aminomethyl)-4-ethylcyclohexyl]-(oxan-4-yl)methanol (CID 79138758) is [1-(aminomethyl)-4-ethylcyclohexyl]-(oxan-4-yl)methanol.
What is the SMILES notation for [1-(aminomethyl)-4-ethylcyclohexyl]-(oxan-4-yl)methanol?
The canonical SMILES for [1-(aminomethyl)-4-ethylcyclohexyl]-(oxan-4-yl)methanol is CCC1CCC(CN)(C(O)C2CCOCC2)CC1.
What is the InChIKey of [1-(aminomethyl)-4-ethylcyclohexyl]-(oxan-4-yl)methanol?
The InChIKey is WBABURMEZZRIQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO2/c1-2-12-3-7-15(11-16,8-4-12)14(17)13-5-9-18-10-6-13/h12-14,17H,2-11,16H2,1H3.
What are the key properties of [1-(aminomethyl)-4-ethylcyclohexyl]-(oxan-4-yl)methanol?
[1-(aminomethyl)-4-ethylcyclohexyl]-(oxan-4-yl)methanol has a molecular weight of 255.40 g/mol, XLogP of 2.32, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(aminomethyl)-4-ethylcyclohexyl]-(oxan-4-yl)methanol is sourced from PubChem (CID 79138758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).