N-(1,4-dioxan-2-ylmethyl)-2,3,4,5-tetrahydropyridin-6-amine

C10H18N2O2 — CID 79508242

IUPACN-(1,4-dioxan-2-ylmethyl)-2,3,4,5-tetrahydropyridin-6-amine
SMILESC1CCC(NCC2COCCO2)=NC1
InChIInChI=1S/C10H18N2O2/c1-2-4-11-10(3-1)12-7-9-8-13-5-6-14-9/h9H,1-8H2,(H,11,12)
InChIKeyHHCQVPXFJNBUFD-UHFFFAOYSA-N
MW198.27 g/mol
LogP0.57
Rot. Bonds2

About N-(1,4-dioxan-2-ylmethyl)-2,3,4,5-tetrahydropyridin-6-amine

N-(1,4-dioxan-2-ylmethyl)-2,3,4,5-tetrahydropyridin-6-amine (PubChem CID 79508242) has the molecular formula C10H18N2O2 and a molecular weight of 198.27 g/mol. Its IUPAC name is N-(1,4-dioxan-2-ylmethyl)-2,3,4,5-tetrahydropyridin-6-amine.

Molecular Properties

Compound NameN-(1,4-dioxan-2-ylmethyl)-2,3,4,5-tetrahydropyridin-6-amine
PubChem CID79508242
Molecular FormulaC10H18N2O2
Molecular Weight198.27 g/mol
Exact Mass198.14
IUPAC NameN-(1,4-dioxan-2-ylmethyl)-2,3,4,5-tetrahydropyridin-6-amine
SMILESC1CCC(NCC2COCCO2)=NC1
InChIInChI=1S/C10H18N2O2/c1-2-4-11-10(3-1)12-7-9-8-13-5-6-14-9/h9H,1-8H2,(H,11,12)
InChIKeyHHCQVPXFJNBUFD-UHFFFAOYSA-N
XLogP0.57
TPSA42.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1,4-dioxan-2-ylmethyl)-2,3,4,5-tetrahydropyridin-6-amine?
The IUPAC name of N-(1,4-dioxan-2-ylmethyl)-2,3,4,5-tetrahydropyridin-6-amine (CID 79508242) is N-(1,4-dioxan-2-ylmethyl)-2,3,4,5-tetrahydropyridin-6-amine.
What is the SMILES notation for N-(1,4-dioxan-2-ylmethyl)-2,3,4,5-tetrahydropyridin-6-amine?
The canonical SMILES for N-(1,4-dioxan-2-ylmethyl)-2,3,4,5-tetrahydropyridin-6-amine is C1CCC(NCC2COCCO2)=NC1.
What is the InChIKey of N-(1,4-dioxan-2-ylmethyl)-2,3,4,5-tetrahydropyridin-6-amine?
The InChIKey is HHCQVPXFJNBUFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2/c1-2-4-11-10(3-1)12-7-9-8-13-5-6-14-9/h9H,1-8H2,(H,11,12).
What are the key properties of N-(1,4-dioxan-2-ylmethyl)-2,3,4,5-tetrahydropyridin-6-amine?
N-(1,4-dioxan-2-ylmethyl)-2,3,4,5-tetrahydropyridin-6-amine has a molecular weight of 198.27 g/mol, XLogP of 0.57, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,4-dioxan-2-ylmethyl)-2,3,4,5-tetrahydropyridin-6-amine is sourced from PubChem (CID 79508242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).