1-[1-(aminomethyl)-3-ethylcyclohexyl]-2,5-dimethylcyclohexan-1-ol

C17H33NO — CID 79125926

IUPAC1-[1-(aminomethyl)-3-ethylcyclohexyl]-2,5-dimethylcyclohexan-1-ol
SMILESCCC1CCCC(CN)(C2(O)CC(C)CCC2C)C1
InChIInChI=1S/C17H33NO/c1-4-15-6-5-9-16(11-15,12-18)17(19)10-13(2)7-8-14(17)3/h13-15,19H,4-12,18H2,1-3H3
InChIKeyYGSGJAUOCSPAKU-UHFFFAOYSA-N
MW267.46 g/mol
LogP3.72
Rot. Bonds3

About 1-[1-(aminomethyl)-3-ethylcyclohexyl]-2,5-dimethylcyclohexan-1-ol

1-[1-(aminomethyl)-3-ethylcyclohexyl]-2,5-dimethylcyclohexan-1-ol (PubChem CID 79125926) has the molecular formula C17H33NO and a molecular weight of 267.46 g/mol. Its IUPAC name is 1-[1-(aminomethyl)-3-ethylcyclohexyl]-2,5-dimethylcyclohexan-1-ol.

Molecular Properties

Compound Name1-[1-(aminomethyl)-3-ethylcyclohexyl]-2,5-dimethylcyclohexan-1-ol
PubChem CID79125926
Molecular FormulaC17H33NO
Molecular Weight267.46 g/mol
Exact Mass267.26
IUPAC Name1-[1-(aminomethyl)-3-ethylcyclohexyl]-2,5-dimethylcyclohexan-1-ol
SMILESCCC1CCCC(CN)(C2(O)CC(C)CCC2C)C1
InChIInChI=1S/C17H33NO/c1-4-15-6-5-9-16(11-15,12-18)17(19)10-13(2)7-8-14(17)3/h13-15,19H,4-12,18H2,1-3H3
InChIKeyYGSGJAUOCSPAKU-UHFFFAOYSA-N
XLogP3.72
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.46
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-(aminomethyl)-3-methylcyclohexyl]-2-methylcyclopentan-1-ol
CID 79123958
1-[1-(aminomethyl)-3-ethylcyclohexyl]cyclohexan-1-ol
CID 79127098
1-[1-(aminomethyl)-3-ethylcyclohexyl]-2-methoxycyclohexan-1-ol
CID 106874852
1-[1-(aminomethyl)-3-ethylcyclopentyl]-3-ethylcyclohexan-1-ol
CID 79124179
1-[1-(aminomethyl)-3-ethylcyclopentyl]-3-methylcyclopentan-1-ol
CID 79126426
1-[1-(aminomethyl)-3-ethylcyclopentyl]-4-methylcycloheptan-1-ol
CID 79124842
1-[1-(aminomethyl)-3-ethylcyclopentyl]-3-methylcyclobutan-1-ol
CID 103565588
3-[1-(aminomethyl)-3-ethylcyclohexyl]oxolan-3-ol
CID 79135585
1-[1-(aminomethyl)-3-methylcyclohexyl]-4-propylcyclohexan-1-ol
CID 79126743
1-[1-(aminomethyl)-3-ethylcyclopentyl]-2,2-dimethylcyclohexan-1-ol
CID 79852268
1-[1-(aminomethyl)-3-ethylcyclopentyl]-3,3,5-trimethylcyclohexan-1-ol
CID 79129042
1-[1-(aminomethyl)cycloheptyl]-4-ethylcycloheptan-1-ol
CID 79124222

Frequently Asked Questions

What is the IUPAC name of 1-[1-(aminomethyl)-3-ethylcyclohexyl]-2,5-dimethylcyclohexan-1-ol?
The IUPAC name of 1-[1-(aminomethyl)-3-ethylcyclohexyl]-2,5-dimethylcyclohexan-1-ol (CID 79125926) is 1-[1-(aminomethyl)-3-ethylcyclohexyl]-2,5-dimethylcyclohexan-1-ol.
What is the SMILES notation for 1-[1-(aminomethyl)-3-ethylcyclohexyl]-2,5-dimethylcyclohexan-1-ol?
The canonical SMILES for 1-[1-(aminomethyl)-3-ethylcyclohexyl]-2,5-dimethylcyclohexan-1-ol is CCC1CCCC(CN)(C2(O)CC(C)CCC2C)C1.
What is the InChIKey of 1-[1-(aminomethyl)-3-ethylcyclohexyl]-2,5-dimethylcyclohexan-1-ol?
The InChIKey is YGSGJAUOCSPAKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33NO/c1-4-15-6-5-9-16(11-15,12-18)17(19)10-13(2)7-8-14(17)3/h13-15,19H,4-12,18H2,1-3H3.
What are the key properties of 1-[1-(aminomethyl)-3-ethylcyclohexyl]-2,5-dimethylcyclohexan-1-ol?
1-[1-(aminomethyl)-3-ethylcyclohexyl]-2,5-dimethylcyclohexan-1-ol has a molecular weight of 267.46 g/mol, XLogP of 3.72, 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]-2,5-dimethylcyclohexan-1-ol is sourced from PubChem (CID 79125926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).