1-[1-(aminomethyl)-3-ethylcyclopentyl]-3-ethylcyclohexan-1-ol

C16H31NO — CID 79124179

IUPAC1-[1-(aminomethyl)-3-ethylcyclopentyl]-3-ethylcyclohexan-1-ol
SMILESCCC1CCCC(O)(C2(CN)CCC(CC)C2)C1
InChIInChI=1S/C16H31NO/c1-3-13-6-5-8-16(18,11-13)15(12-17)9-7-14(4-2)10-15/h13-14,18H,3-12,17H2,1-2H3
InChIKeyUAVZACHZVCRZSO-UHFFFAOYSA-N
MW253.43 g/mol
LogP3.47
Rot. Bonds4

About 1-[1-(aminomethyl)-3-ethylcyclopentyl]-3-ethylcyclohexan-1-ol

1-[1-(aminomethyl)-3-ethylcyclopentyl]-3-ethylcyclohexan-1-ol (PubChem CID 79124179) has the molecular formula C16H31NO and a molecular weight of 253.43 g/mol. Its IUPAC name is 1-[1-(aminomethyl)-3-ethylcyclopentyl]-3-ethylcyclohexan-1-ol.

Molecular Properties

Compound Name1-[1-(aminomethyl)-3-ethylcyclopentyl]-3-ethylcyclohexan-1-ol
PubChem CID79124179
Molecular FormulaC16H31NO
Molecular Weight253.43 g/mol
Exact Mass253.24
IUPAC Name1-[1-(aminomethyl)-3-ethylcyclopentyl]-3-ethylcyclohexan-1-ol
SMILESCCC1CCCC(O)(C2(CN)CCC(CC)C2)C1
InChIInChI=1S/C16H31NO/c1-3-13-6-5-8-16(18,11-13)15(12-17)9-7-14(4-2)10-15/h13-14,18H,3-12,17H2,1-2H3
InChIKeyUAVZACHZVCRZSO-UHFFFAOYSA-N
XLogP3.47
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.43
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-(aminomethyl)-3-ethylcyclohexyl]cyclohexan-1-ol
CID 79127098
1-[1-(aminomethyl)-3-ethylcyclopentyl]-4-methylcycloheptan-1-ol
CID 79124842
1-[1-(aminomethyl)-3-ethylcyclopentyl]-3-methylcyclopentan-1-ol
CID 79126426
1-[1-(aminomethyl)-3-ethylcyclopentyl]-3-methylcyclobutan-1-ol
CID 103565588
1-[1-(aminomethyl)-3-ethylcyclopentyl]-3,3-dimethylcyclohexan-1-ol
CID 79125562
1-[1-(aminomethyl)-3-ethylcyclopentyl]-2,2-dimethylcyclohexan-1-ol
CID 79852268
1-[1-(aminomethyl)-3-ethylcyclopentyl]-3,3-dimethylcyclopentan-1-ol
CID 80698467
1-[1-(aminomethyl)-3-ethylcyclopentyl]-4-propan-2-ylcyclohexan-1-ol
CID 79135033
3-[1-(aminomethyl)-3-ethylcyclohexyl]oxolan-3-ol
CID 79135585
1-[1-(aminomethyl)-3-ethylcyclopentyl]-4-(2-methylbutan-2-yl)cyclohexan-1-ol
CID 79124767
1-[1-(aminomethyl)cycloheptyl]-4-ethylcycloheptan-1-ol
CID 79124222
1-[1-(aminomethyl)-3-ethylcyclopentyl]-4-(trifluoromethyl)cyclohexan-1-ol
CID 79123952

Frequently Asked Questions

What is the IUPAC name of 1-[1-(aminomethyl)-3-ethylcyclopentyl]-3-ethylcyclohexan-1-ol?
The IUPAC name of 1-[1-(aminomethyl)-3-ethylcyclopentyl]-3-ethylcyclohexan-1-ol (CID 79124179) is 1-[1-(aminomethyl)-3-ethylcyclopentyl]-3-ethylcyclohexan-1-ol.
What is the SMILES notation for 1-[1-(aminomethyl)-3-ethylcyclopentyl]-3-ethylcyclohexan-1-ol?
The canonical SMILES for 1-[1-(aminomethyl)-3-ethylcyclopentyl]-3-ethylcyclohexan-1-ol is CCC1CCCC(O)(C2(CN)CCC(CC)C2)C1.
What is the InChIKey of 1-[1-(aminomethyl)-3-ethylcyclopentyl]-3-ethylcyclohexan-1-ol?
The InChIKey is UAVZACHZVCRZSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO/c1-3-13-6-5-8-16(18,11-13)15(12-17)9-7-14(4-2)10-15/h13-14,18H,3-12,17H2,1-2H3.
What are the key properties of 1-[1-(aminomethyl)-3-ethylcyclopentyl]-3-ethylcyclohexan-1-ol?
1-[1-(aminomethyl)-3-ethylcyclopentyl]-3-ethylcyclohexan-1-ol has a molecular weight of 253.43 g/mol, XLogP of 3.47, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(aminomethyl)-3-ethylcyclopentyl]-3-ethylcyclohexan-1-ol is sourced from PubChem (CID 79124179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).