1-[1-(aminomethyl)-3-ethylcyclohexyl]-2-methoxycyclohexan-1-ol

C16H31NO2 — CID 106874852

IUPAC1-[1-(aminomethyl)-3-ethylcyclohexyl]-2-methoxycyclohexan-1-ol
SMILESCCC1CCCC(CN)(C2(O)CCCCC2OC)C1
InChIInChI=1S/C16H31NO2/c1-3-13-7-6-9-15(11-13,12-17)16(18)10-5-4-8-14(16)19-2/h13-14,18H,3-12,17H2,1-2H3
InChIKeyBLAPCCIBBHQMRH-UHFFFAOYSA-N
MW269.43 g/mol
LogP2.85
Rot. Bonds4

About 1-[1-(aminomethyl)-3-ethylcyclohexyl]-2-methoxycyclohexan-1-ol

1-[1-(aminomethyl)-3-ethylcyclohexyl]-2-methoxycyclohexan-1-ol (PubChem CID 106874852) has the molecular formula C16H31NO2 and a molecular weight of 269.43 g/mol. Its IUPAC name is 1-[1-(aminomethyl)-3-ethylcyclohexyl]-2-methoxycyclohexan-1-ol.

Molecular Properties

Compound Name1-[1-(aminomethyl)-3-ethylcyclohexyl]-2-methoxycyclohexan-1-ol
PubChem CID106874852
Molecular FormulaC16H31NO2
Molecular Weight269.43 g/mol
Exact Mass269.24
IUPAC Name1-[1-(aminomethyl)-3-ethylcyclohexyl]-2-methoxycyclohexan-1-ol
SMILESCCC1CCCC(CN)(C2(O)CCCCC2OC)C1
InChIInChI=1S/C16H31NO2/c1-3-13-7-6-9-15(11-13,12-17)16(18)10-5-4-8-14(16)19-2/h13-14,18H,3-12,17H2,1-2H3
InChIKeyBLAPCCIBBHQMRH-UHFFFAOYSA-N
XLogP2.85
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(aminomethyl)-3-ethylcyclohexyl]cyclohexan-1-ol
CID 79127098
1-[1-(aminomethyl)-3-ethylcyclohexyl]-2,5-dimethylcyclohexan-1-ol
CID 79125926
1-[1-(aminomethyl)-3-ethylcyclopentyl]-3-ethylcyclohexan-1-ol
CID 79124179
1-[1-(aminomethyl)-3-ethylcyclopentyl]-2,2-dimethylcyclohexan-1-ol
CID 79852268
3-[1-(aminomethyl)-3-ethylcyclohexyl]oxolan-3-ol
CID 79135585
1-[1-(aminomethyl)cycloheptyl]-4-ethylcycloheptan-1-ol
CID 79124222
1-(aminomethyl)-N-(4-ethylcyclohexyl)-2-methoxy-N-methylcyclohexan-1-amine
CID 106872326
[3-ethyl-1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]cyclohexyl]methanamine
CID 104568544
1-(cyclopentylmethyl)-3-ethylcyclohexan-1-ol
CID 65149112
4-[1-(aminomethyl)-3-ethylcyclohexyl]-2-propan-2-yloxan-4-ol
CID 79125368
1-[1-(aminomethyl)-3-ethylcyclopentyl]-4-methylcycloheptan-1-ol
CID 79124842
1-[1-(aminomethyl)-3-ethylcyclopentyl]-3,3-dimethylcyclohexan-1-ol
CID 79125562

Frequently Asked Questions

What is the IUPAC name of 1-[1-(aminomethyl)-3-ethylcyclohexyl]-2-methoxycyclohexan-1-ol?
The IUPAC name of 1-[1-(aminomethyl)-3-ethylcyclohexyl]-2-methoxycyclohexan-1-ol (CID 106874852) is 1-[1-(aminomethyl)-3-ethylcyclohexyl]-2-methoxycyclohexan-1-ol.
What is the SMILES notation for 1-[1-(aminomethyl)-3-ethylcyclohexyl]-2-methoxycyclohexan-1-ol?
The canonical SMILES for 1-[1-(aminomethyl)-3-ethylcyclohexyl]-2-methoxycyclohexan-1-ol is CCC1CCCC(CN)(C2(O)CCCCC2OC)C1.
What is the InChIKey of 1-[1-(aminomethyl)-3-ethylcyclohexyl]-2-methoxycyclohexan-1-ol?
The InChIKey is BLAPCCIBBHQMRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO2/c1-3-13-7-6-9-15(11-13,12-17)16(18)10-5-4-8-14(16)19-2/h13-14,18H,3-12,17H2,1-2H3.
What are the key properties of 1-[1-(aminomethyl)-3-ethylcyclohexyl]-2-methoxycyclohexan-1-ol?
1-[1-(aminomethyl)-3-ethylcyclohexyl]-2-methoxycyclohexan-1-ol has a molecular weight of 269.43 g/mol, XLogP of 2.85, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(aminomethyl)-3-ethylcyclohexyl]-2-methoxycyclohexan-1-ol is sourced from PubChem (CID 106874852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).