3-[1-(aminomethyl)-4-propylcyclohexyl]-1,5-dimethylpyrrolidin-3-ol

C16H32N2O — CID 81467761

IUPAC3-[1-(aminomethyl)-4-propylcyclohexyl]-1,5-dimethylpyrrolidin-3-ol
SMILESCCCC1CCC(CN)(C2(O)CC(C)N(C)C2)CC1
InChIInChI=1S/C16H32N2O/c1-4-5-14-6-8-15(11-17,9-7-14)16(19)10-13(2)18(3)12-16/h13-14,19H,4-12,17H2,1-3H3
InChIKeyPKESCQIBAXLEQX-UHFFFAOYSA-N
MW268.44 g/mol
LogP2.38
Rot. Bonds4

About 3-[1-(aminomethyl)-4-propylcyclohexyl]-1,5-dimethylpyrrolidin-3-ol

3-[1-(aminomethyl)-4-propylcyclohexyl]-1,5-dimethylpyrrolidin-3-ol (PubChem CID 81467761) has the molecular formula C16H32N2O and a molecular weight of 268.44 g/mol. Its IUPAC name is 3-[1-(aminomethyl)-4-propylcyclohexyl]-1,5-dimethylpyrrolidin-3-ol.

Molecular Properties

Compound Name3-[1-(aminomethyl)-4-propylcyclohexyl]-1,5-dimethylpyrrolidin-3-ol
PubChem CID81467761
Molecular FormulaC16H32N2O
Molecular Weight268.44 g/mol
Exact Mass268.25
IUPAC Name3-[1-(aminomethyl)-4-propylcyclohexyl]-1,5-dimethylpyrrolidin-3-ol
SMILESCCCC1CCC(CN)(C2(O)CC(C)N(C)C2)CC1
InChIInChI=1S/C16H32N2O/c1-4-5-14-6-8-15(11-17,9-7-14)16(19)10-13(2)18(3)12-16/h13-14,19H,4-12,17H2,1-3H3
InChIKeyPKESCQIBAXLEQX-UHFFFAOYSA-N
XLogP2.38
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.44
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(aminomethyl)-4-propylcyclohexyl]-1,5-dimethylpyrrolidin-3-ol?
The IUPAC name of 3-[1-(aminomethyl)-4-propylcyclohexyl]-1,5-dimethylpyrrolidin-3-ol (CID 81467761) is 3-[1-(aminomethyl)-4-propylcyclohexyl]-1,5-dimethylpyrrolidin-3-ol.
What is the SMILES notation for 3-[1-(aminomethyl)-4-propylcyclohexyl]-1,5-dimethylpyrrolidin-3-ol?
The canonical SMILES for 3-[1-(aminomethyl)-4-propylcyclohexyl]-1,5-dimethylpyrrolidin-3-ol is CCCC1CCC(CN)(C2(O)CC(C)N(C)C2)CC1.
What is the InChIKey of 3-[1-(aminomethyl)-4-propylcyclohexyl]-1,5-dimethylpyrrolidin-3-ol?
The InChIKey is PKESCQIBAXLEQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O/c1-4-5-14-6-8-15(11-17,9-7-14)16(19)10-13(2)18(3)12-16/h13-14,19H,4-12,17H2,1-3H3.
What are the key properties of 3-[1-(aminomethyl)-4-propylcyclohexyl]-1,5-dimethylpyrrolidin-3-ol?
3-[1-(aminomethyl)-4-propylcyclohexyl]-1,5-dimethylpyrrolidin-3-ol has a molecular weight of 268.44 g/mol, XLogP of 2.38, 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-propylcyclohexyl]-1,5-dimethylpyrrolidin-3-ol is sourced from PubChem (CID 81467761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).