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

C16H31NO — CID 79852268

IUPAC1-[1-(aminomethyl)-3-ethylcyclopentyl]-2,2-dimethylcyclohexan-1-ol
SMILESCCC1CCC(CN)(C2(O)CCCCC2(C)C)C1
InChIInChI=1S/C16H31NO/c1-4-13-7-10-15(11-13,12-17)16(18)9-6-5-8-14(16,2)3/h13,18H,4-12,17H2,1-3H3
InChIKeyVYGWNYKHRYURSC-UHFFFAOYSA-N
MW253.43 g/mol
LogP3.47
Rot. Bonds3

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

1-[1-(aminomethyl)-3-ethylcyclopentyl]-2,2-dimethylcyclohexan-1-ol (PubChem CID 79852268) has the molecular formula C16H31NO and a molecular weight of 253.43 g/mol. Its IUPAC name is 1-[1-(aminomethyl)-3-ethylcyclopentyl]-2,2-dimethylcyclohexan-1-ol.

Molecular Properties

Compound Name1-[1-(aminomethyl)-3-ethylcyclopentyl]-2,2-dimethylcyclohexan-1-ol
PubChem CID79852268
Molecular FormulaC16H31NO
Molecular Weight253.43 g/mol
Exact Mass253.24
IUPAC Name1-[1-(aminomethyl)-3-ethylcyclopentyl]-2,2-dimethylcyclohexan-1-ol
SMILESCCC1CCC(CN)(C2(O)CCCCC2(C)C)C1
InChIInChI=1S/C16H31NO/c1-4-13-7-10-15(11-13,12-17)16(18)9-6-5-8-14(16,2)3/h13,18H,4-12,17H2,1-3H3
InChIKeyVYGWNYKHRYURSC-UHFFFAOYSA-N
XLogP3.47
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
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)-4-ethylcyclohexyl]-2,2-dimethylcyclohexan-1-ol
CID 79852793
1-[1-(aminomethyl)-3-ethylcyclopentyl]-3-ethylcyclohexan-1-ol
CID 79124179
1-[1-(aminomethyl)-3-ethylcyclopentyl]-3,3-dimethylcyclohexan-1-ol
CID 79125562
1-[1-(aminomethyl)-3-ethylcyclopentyl]-3-methylcyclobutan-1-ol
CID 103565588
1-[1-(aminomethyl)-3-ethylcyclopentyl]-3,3-dimethylcyclopentan-1-ol
CID 80698467
1-[1-(aminomethyl)-3-ethylcyclohexyl]cyclohexan-1-ol
CID 79127098
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]-4-propan-2-ylcyclohexan-1-ol
CID 79135033
1-[1-(aminomethyl)-3-ethylcyclopentyl]-3,3,5-trimethylcyclohexan-1-ol
CID 79129042
1-[1-(aminomethyl)-3-ethylcyclopentyl]-4-(trifluoromethyl)cyclohexan-1-ol
CID 79123952
4-[1-(aminomethyl)-3-ethylcyclopentyl]-2-ethyl-2-methyloxan-4-ol
CID 79126212

Frequently Asked Questions

What is the IUPAC name of 1-[1-(aminomethyl)-3-ethylcyclopentyl]-2,2-dimethylcyclohexan-1-ol?
The IUPAC name of 1-[1-(aminomethyl)-3-ethylcyclopentyl]-2,2-dimethylcyclohexan-1-ol (CID 79852268) is 1-[1-(aminomethyl)-3-ethylcyclopentyl]-2,2-dimethylcyclohexan-1-ol.
What is the SMILES notation for 1-[1-(aminomethyl)-3-ethylcyclopentyl]-2,2-dimethylcyclohexan-1-ol?
The canonical SMILES for 1-[1-(aminomethyl)-3-ethylcyclopentyl]-2,2-dimethylcyclohexan-1-ol is CCC1CCC(CN)(C2(O)CCCCC2(C)C)C1.
What is the InChIKey of 1-[1-(aminomethyl)-3-ethylcyclopentyl]-2,2-dimethylcyclohexan-1-ol?
The InChIKey is VYGWNYKHRYURSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO/c1-4-13-7-10-15(11-13,12-17)16(18)9-6-5-8-14(16,2)3/h13,18H,4-12,17H2,1-3H3.
What are the key properties of 1-[1-(aminomethyl)-3-ethylcyclopentyl]-2,2-dimethylcyclohexan-1-ol?
1-[1-(aminomethyl)-3-ethylcyclopentyl]-2,2-dimethylcyclohexan-1-ol has a molecular weight of 253.43 g/mol, XLogP of 3.47, 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-ethylcyclopentyl]-2,2-dimethylcyclohexan-1-ol is sourced from PubChem (CID 79852268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).