3-(2-aminopropyl)-4-methoxycyclohexan-1-ol

C10H21NO2 — CID 154699686

IUPAC3-(2-aminopropyl)-4-methoxycyclohexan-1-ol
SMILESCOC1CCC(O)CC1CC(C)N
InChIInChI=1S/C10H21NO2/c1-7(11)5-8-6-9(12)3-4-10(8)13-2/h7-10,12H,3-6,11H2,1-2H3
InChIKeyIPNIOEZCSLMIQL-UHFFFAOYSA-N
MW187.28 g/mol
LogP0.90
Rot. Bonds3

About 3-(2-aminopropyl)-4-methoxycyclohexan-1-ol

3-(2-aminopropyl)-4-methoxycyclohexan-1-ol (PubChem CID 154699686) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is 3-(2-aminopropyl)-4-methoxycyclohexan-1-ol.

Molecular Properties

Compound Name3-(2-aminopropyl)-4-methoxycyclohexan-1-ol
PubChem CID154699686
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC Name3-(2-aminopropyl)-4-methoxycyclohexan-1-ol
SMILESCOC1CCC(O)CC1CC(C)N
InChIInChI=1S/C10H21NO2/c1-7(11)5-8-6-9(12)3-4-10(8)13-2/h7-10,12H,3-6,11H2,1-2H3
InChIKeyIPNIOEZCSLMIQL-UHFFFAOYSA-N
XLogP0.90
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.28
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-aminopropyl)-4-methoxycyclohexan-1-ol?
The IUPAC name of 3-(2-aminopropyl)-4-methoxycyclohexan-1-ol (CID 154699686) is 3-(2-aminopropyl)-4-methoxycyclohexan-1-ol.
What is the SMILES notation for 3-(2-aminopropyl)-4-methoxycyclohexan-1-ol?
The canonical SMILES for 3-(2-aminopropyl)-4-methoxycyclohexan-1-ol is COC1CCC(O)CC1CC(C)N.
What is the InChIKey of 3-(2-aminopropyl)-4-methoxycyclohexan-1-ol?
The InChIKey is IPNIOEZCSLMIQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2/c1-7(11)5-8-6-9(12)3-4-10(8)13-2/h7-10,12H,3-6,11H2,1-2H3.
What are the key properties of 3-(2-aminopropyl)-4-methoxycyclohexan-1-ol?
3-(2-aminopropyl)-4-methoxycyclohexan-1-ol has a molecular weight of 187.28 g/mol, XLogP of 0.90, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminopropyl)-4-methoxycyclohexan-1-ol is sourced from PubChem (CID 154699686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).