1-[1-(aminomethyl)-3-ethylcyclohexyl]cyclohexan-1-ol

C15H29NO — CID 79127098

IUPAC1-[1-(aminomethyl)-3-ethylcyclohexyl]cyclohexan-1-ol
SMILESCCC1CCCC(CN)(C2(O)CCCCC2)C1
InChIInChI=1S/C15H29NO/c1-2-13-7-6-8-14(11-13,12-16)15(17)9-4-3-5-10-15/h13,17H,2-12,16H2,1H3
InChIKeyZXQFXJQEGOXFFX-UHFFFAOYSA-N
MW239.40 g/mol
LogP3.23
Rot. Bonds3

About 1-[1-(aminomethyl)-3-ethylcyclohexyl]cyclohexan-1-ol

1-[1-(aminomethyl)-3-ethylcyclohexyl]cyclohexan-1-ol (PubChem CID 79127098) has the molecular formula C15H29NO and a molecular weight of 239.40 g/mol. Its IUPAC name is 1-[1-(aminomethyl)-3-ethylcyclohexyl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-[1-(aminomethyl)-3-ethylcyclohexyl]cyclohexan-1-ol
PubChem CID79127098
Molecular FormulaC15H29NO
Molecular Weight239.40 g/mol
Exact Mass239.22
IUPAC Name1-[1-(aminomethyl)-3-ethylcyclohexyl]cyclohexan-1-ol
SMILESCCC1CCCC(CN)(C2(O)CCCCC2)C1
InChIInChI=1S/C15H29NO/c1-2-13-7-6-8-14(11-13,12-16)15(17)9-4-3-5-10-15/h13,17H,2-12,16H2,1H3
InChIKeyZXQFXJQEGOXFFX-UHFFFAOYSA-N
XLogP3.23
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.40
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-(aminomethyl)cycloheptyl]-4-ethylcycloheptan-1-ol
CID 79124222
1-[1-(aminomethyl)-3-ethylcyclopentyl]-3-ethylcyclohexan-1-ol
CID 79124179
1-[1-(aminomethyl)-3-ethylcyclopentyl]-4-methylcycloheptan-1-ol
CID 79124842
3-[1-(aminomethyl)-3-ethylcyclohexyl]oxolan-3-ol
CID 79135585
1-[1-(aminomethyl)-3-ethylcyclopentyl]-3,3-dimethylcyclohexan-1-ol
CID 79125562
1-[1-(aminomethyl)-3-ethylcyclohexyl]-2-methoxycyclohexan-1-ol
CID 106874852
4-[1-(aminomethyl)-3-ethylcyclohexyl]-2-propan-2-yloxan-4-ol
CID 79125368
1-[1-(aminomethyl)-3-ethylcyclopentyl]-3-methylcyclobutan-1-ol
CID 103565588
1-[1-(aminomethyl)-3-ethylcyclopentyl]-2,2-dimethylcyclohexan-1-ol
CID 79852268
1-[1-(aminomethyl)-3-ethylcyclopentyl]-4-propan-2-ylcyclohexan-1-ol
CID 79135033
1-[1-(aminomethyl)-3-ethylcyclohexyl]-2,5-dimethylcyclohexan-1-ol
CID 79125926
1-[1-(aminomethyl)-3-methylcyclopentyl]cycloheptan-1-ol
CID 79128862

Frequently Asked Questions

What is the IUPAC name of 1-[1-(aminomethyl)-3-ethylcyclohexyl]cyclohexan-1-ol?
The IUPAC name of 1-[1-(aminomethyl)-3-ethylcyclohexyl]cyclohexan-1-ol (CID 79127098) is 1-[1-(aminomethyl)-3-ethylcyclohexyl]cyclohexan-1-ol.
What is the SMILES notation for 1-[1-(aminomethyl)-3-ethylcyclohexyl]cyclohexan-1-ol?
The canonical SMILES for 1-[1-(aminomethyl)-3-ethylcyclohexyl]cyclohexan-1-ol is CCC1CCCC(CN)(C2(O)CCCCC2)C1.
What is the InChIKey of 1-[1-(aminomethyl)-3-ethylcyclohexyl]cyclohexan-1-ol?
The InChIKey is ZXQFXJQEGOXFFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO/c1-2-13-7-6-8-14(11-13,12-16)15(17)9-4-3-5-10-15/h13,17H,2-12,16H2,1H3.
What are the key properties of 1-[1-(aminomethyl)-3-ethylcyclohexyl]cyclohexan-1-ol?
1-[1-(aminomethyl)-3-ethylcyclohexyl]cyclohexan-1-ol has a molecular weight of 239.40 g/mol, XLogP of 3.23, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(aminomethyl)-3-ethylcyclohexyl]cyclohexan-1-ol is sourced from PubChem (CID 79127098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).