N-(1,4-dioxan-2-ylmethyl)-1-(1-methylcyclopropyl)ethanamine

C11H21NO2 — CID 61023565

IUPACN-(1,4-dioxan-2-ylmethyl)-1-(1-methylcyclopropyl)ethanamine
SMILESCC(NCC1COCCO1)C1(C)CC1
InChIInChI=1S/C11H21NO2/c1-9(11(2)3-4-11)12-7-10-8-13-5-6-14-10/h9-10,12H,3-8H2,1-2H3
InChIKeyAXCJNGUSSBSGMM-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.18
Rot. Bonds4

About N-(1,4-dioxan-2-ylmethyl)-1-(1-methylcyclopropyl)ethanamine

N-(1,4-dioxan-2-ylmethyl)-1-(1-methylcyclopropyl)ethanamine (PubChem CID 61023565) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is N-(1,4-dioxan-2-ylmethyl)-1-(1-methylcyclopropyl)ethanamine.

Molecular Properties

Compound NameN-(1,4-dioxan-2-ylmethyl)-1-(1-methylcyclopropyl)ethanamine
PubChem CID61023565
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC NameN-(1,4-dioxan-2-ylmethyl)-1-(1-methylcyclopropyl)ethanamine
SMILESCC(NCC1COCCO1)C1(C)CC1
InChIInChI=1S/C11H21NO2/c1-9(11(2)3-4-11)12-7-10-8-13-5-6-14-10/h9-10,12H,3-8H2,1-2H3
InChIKeyAXCJNGUSSBSGMM-UHFFFAOYSA-N
XLogP1.18
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1,4-dioxan-2-ylmethyl)-1-(1-methylcyclopropyl)ethanamine?
The IUPAC name of N-(1,4-dioxan-2-ylmethyl)-1-(1-methylcyclopropyl)ethanamine (CID 61023565) is N-(1,4-dioxan-2-ylmethyl)-1-(1-methylcyclopropyl)ethanamine.
What is the SMILES notation for N-(1,4-dioxan-2-ylmethyl)-1-(1-methylcyclopropyl)ethanamine?
The canonical SMILES for N-(1,4-dioxan-2-ylmethyl)-1-(1-methylcyclopropyl)ethanamine is CC(NCC1COCCO1)C1(C)CC1.
What is the InChIKey of N-(1,4-dioxan-2-ylmethyl)-1-(1-methylcyclopropyl)ethanamine?
The InChIKey is AXCJNGUSSBSGMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-9(11(2)3-4-11)12-7-10-8-13-5-6-14-10/h9-10,12H,3-8H2,1-2H3.
What are the key properties of N-(1,4-dioxan-2-ylmethyl)-1-(1-methylcyclopropyl)ethanamine?
N-(1,4-dioxan-2-ylmethyl)-1-(1-methylcyclopropyl)ethanamine has a molecular weight of 199.29 g/mol, XLogP of 1.18, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,4-dioxan-2-ylmethyl)-1-(1-methylcyclopropyl)ethanamine is sourced from PubChem (CID 61023565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).