4-[[3-(aminomethyl)-2-pyridinyl]oxy]cyclohexan-1-amine

C12H19N3O — CID 117096825

IUPAC4-[[3-(aminomethyl)-2-pyridinyl]oxy]cyclohexan-1-amine
SMILESNCc1cccnc1OC1CCC(N)CC1
InChIInChI=1S/C12H19N3O/c13-8-9-2-1-7-15-12(9)16-11-5-3-10(14)4-6-11/h1-2,7,10-11H,3-6,8,13-14H2
InChIKeyZDLAOHTXEAVBLO-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.19
Rot. Bonds3

About 4-[[3-(aminomethyl)-2-pyridinyl]oxy]cyclohexan-1-amine

4-[[3-(aminomethyl)-2-pyridinyl]oxy]cyclohexan-1-amine (PubChem CID 117096825) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 4-[[3-(aminomethyl)-2-pyridinyl]oxy]cyclohexan-1-amine.

Molecular Properties

Compound Name4-[[3-(aminomethyl)-2-pyridinyl]oxy]cyclohexan-1-amine
PubChem CID117096825
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name4-[[3-(aminomethyl)-2-pyridinyl]oxy]cyclohexan-1-amine
SMILESNCc1cccnc1OC1CCC(N)CC1
InChIInChI=1S/C12H19N3O/c13-8-9-2-1-7-15-12(9)16-11-5-3-10(14)4-6-11/h1-2,7,10-11H,3-6,8,13-14H2
InChIKeyZDLAOHTXEAVBLO-UHFFFAOYSA-N
XLogP1.19
TPSA74.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[3-(aminomethyl)-2-pyridinyl]oxy]cyclohexan-1-amine?
The IUPAC name of 4-[[3-(aminomethyl)-2-pyridinyl]oxy]cyclohexan-1-amine (CID 117096825) is 4-[[3-(aminomethyl)-2-pyridinyl]oxy]cyclohexan-1-amine.
What is the SMILES notation for 4-[[3-(aminomethyl)-2-pyridinyl]oxy]cyclohexan-1-amine?
The canonical SMILES for 4-[[3-(aminomethyl)-2-pyridinyl]oxy]cyclohexan-1-amine is NCc1cccnc1OC1CCC(N)CC1.
What is the InChIKey of 4-[[3-(aminomethyl)-2-pyridinyl]oxy]cyclohexan-1-amine?
The InChIKey is ZDLAOHTXEAVBLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c13-8-9-2-1-7-15-12(9)16-11-5-3-10(14)4-6-11/h1-2,7,10-11H,3-6,8,13-14H2.
What are the key properties of 4-[[3-(aminomethyl)-2-pyridinyl]oxy]cyclohexan-1-amine?
4-[[3-(aminomethyl)-2-pyridinyl]oxy]cyclohexan-1-amine has a molecular weight of 221.30 g/mol, XLogP of 1.19, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(aminomethyl)-2-pyridinyl]oxy]cyclohexan-1-amine is sourced from PubChem (CID 117096825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).