[2-cyclopropyl-2-(methoxymethyl)-1,3-dioxolan-4-yl]methanamine

C9H17NO3 — CID 82777145

IUPAC[2-cyclopropyl-2-(methoxymethyl)-1,3-dioxolan-4-yl]methanamine
SMILESCOCC1(C2CC2)OCC(CN)O1
InChIInChI=1S/C9H17NO3/c1-11-6-9(7-2-3-7)12-5-8(4-10)13-9/h7-8H,2-6,10H2,1H3
InChIKeyALXHXOSGUWQUJM-UHFFFAOYSA-N
MW187.24 g/mol
LogP0.11
Rot. Bonds4

About [2-cyclopropyl-2-(methoxymethyl)-1,3-dioxolan-4-yl]methanamine

[2-cyclopropyl-2-(methoxymethyl)-1,3-dioxolan-4-yl]methanamine (PubChem CID 82777145) has the molecular formula C9H17NO3 and a molecular weight of 187.24 g/mol. Its IUPAC name is [2-cyclopropyl-2-(methoxymethyl)-1,3-dioxolan-4-yl]methanamine.

Molecular Properties

Compound Name[2-cyclopropyl-2-(methoxymethyl)-1,3-dioxolan-4-yl]methanamine
PubChem CID82777145
Molecular FormulaC9H17NO3
Molecular Weight187.24 g/mol
Exact Mass187.12
IUPAC Name[2-cyclopropyl-2-(methoxymethyl)-1,3-dioxolan-4-yl]methanamine
SMILESCOCC1(C2CC2)OCC(CN)O1
InChIInChI=1S/C9H17NO3/c1-11-6-9(7-2-3-7)12-5-8(4-10)13-9/h7-8H,2-6,10H2,1H3
InChIKeyALXHXOSGUWQUJM-UHFFFAOYSA-N
XLogP0.11
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 50.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-cyclopropyl-2-(methoxymethyl)-1,3-dioxolan-4-yl]methanamine?
The IUPAC name of [2-cyclopropyl-2-(methoxymethyl)-1,3-dioxolan-4-yl]methanamine (CID 82777145) is [2-cyclopropyl-2-(methoxymethyl)-1,3-dioxolan-4-yl]methanamine.
What is the SMILES notation for [2-cyclopropyl-2-(methoxymethyl)-1,3-dioxolan-4-yl]methanamine?
The canonical SMILES for [2-cyclopropyl-2-(methoxymethyl)-1,3-dioxolan-4-yl]methanamine is COCC1(C2CC2)OCC(CN)O1.
What is the InChIKey of [2-cyclopropyl-2-(methoxymethyl)-1,3-dioxolan-4-yl]methanamine?
The InChIKey is ALXHXOSGUWQUJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO3/c1-11-6-9(7-2-3-7)12-5-8(4-10)13-9/h7-8H,2-6,10H2,1H3.
What are the key properties of [2-cyclopropyl-2-(methoxymethyl)-1,3-dioxolan-4-yl]methanamine?
[2-cyclopropyl-2-(methoxymethyl)-1,3-dioxolan-4-yl]methanamine has a molecular weight of 187.24 g/mol, XLogP of 0.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-cyclopropyl-2-(methoxymethyl)-1,3-dioxolan-4-yl]methanamine is sourced from PubChem (CID 82777145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).