3-[1-(aminomethyl)-4-ethylcyclohexyl]-1-cyclopropylpyrrolidin-3-ol

C16H30N2O — CID 79134939

IUPAC3-[1-(aminomethyl)-4-ethylcyclohexyl]-1-cyclopropylpyrrolidin-3-ol
SMILESCCC1CCC(CN)(C2(O)CCN(C3CC3)C2)CC1
InChIInChI=1S/C16H30N2O/c1-2-13-5-7-15(11-17,8-6-13)16(19)9-10-18(12-16)14-3-4-14/h13-14,19H,2-12,17H2,1H3
InChIKeyXITGXKTXSRSJGI-UHFFFAOYSA-N
MW266.43 g/mol
LogP2.13
Rot. Bonds4

About 3-[1-(aminomethyl)-4-ethylcyclohexyl]-1-cyclopropylpyrrolidin-3-ol

3-[1-(aminomethyl)-4-ethylcyclohexyl]-1-cyclopropylpyrrolidin-3-ol (PubChem CID 79134939) has the molecular formula C16H30N2O and a molecular weight of 266.43 g/mol. Its IUPAC name is 3-[1-(aminomethyl)-4-ethylcyclohexyl]-1-cyclopropylpyrrolidin-3-ol.

Molecular Properties

Compound Name3-[1-(aminomethyl)-4-ethylcyclohexyl]-1-cyclopropylpyrrolidin-3-ol
PubChem CID79134939
Molecular FormulaC16H30N2O
Molecular Weight266.43 g/mol
Exact Mass266.24
IUPAC Name3-[1-(aminomethyl)-4-ethylcyclohexyl]-1-cyclopropylpyrrolidin-3-ol
SMILESCCC1CCC(CN)(C2(O)CCN(C3CC3)C2)CC1
InChIInChI=1S/C16H30N2O/c1-2-13-5-7-15(11-17,8-6-13)16(19)9-10-18(12-16)14-3-4-14/h13-14,19H,2-12,17H2,1H3
InChIKeyXITGXKTXSRSJGI-UHFFFAOYSA-N
XLogP2.13
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.43
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[1-(aminomethyl)-4-ethylcyclohexyl]-1-cyclopropylpyrrolidin-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[1-(aminomethyl)-4-ethylcyclohexyl]-1-cyclopropylpyrrolidin-3-ol?
The IUPAC name of 3-[1-(aminomethyl)-4-ethylcyclohexyl]-1-cyclopropylpyrrolidin-3-ol (CID 79134939) is 3-[1-(aminomethyl)-4-ethylcyclohexyl]-1-cyclopropylpyrrolidin-3-ol.
What is the SMILES notation for 3-[1-(aminomethyl)-4-ethylcyclohexyl]-1-cyclopropylpyrrolidin-3-ol?
The canonical SMILES for 3-[1-(aminomethyl)-4-ethylcyclohexyl]-1-cyclopropylpyrrolidin-3-ol is CCC1CCC(CN)(C2(O)CCN(C3CC3)C2)CC1.
What is the InChIKey of 3-[1-(aminomethyl)-4-ethylcyclohexyl]-1-cyclopropylpyrrolidin-3-ol?
The InChIKey is XITGXKTXSRSJGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O/c1-2-13-5-7-15(11-17,8-6-13)16(19)9-10-18(12-16)14-3-4-14/h13-14,19H,2-12,17H2,1H3.
What are the key properties of 3-[1-(aminomethyl)-4-ethylcyclohexyl]-1-cyclopropylpyrrolidin-3-ol?
3-[1-(aminomethyl)-4-ethylcyclohexyl]-1-cyclopropylpyrrolidin-3-ol has a molecular weight of 266.43 g/mol, XLogP of 2.13, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(aminomethyl)-4-ethylcyclohexyl]-1-cyclopropylpyrrolidin-3-ol is sourced from PubChem (CID 79134939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).