N-(1,3-dioxan-4-ylmethyl)-N-methylpyrrolidin-3-amine

C10H20N2O2 — CID 63298087

IUPACN-(1,3-dioxan-4-ylmethyl)-N-methylpyrrolidin-3-amine
SMILESCN(CC1CCOCO1)C1CCNC1
InChIInChI=1S/C10H20N2O2/c1-12(9-2-4-11-6-9)7-10-3-5-13-8-14-10/h9-11H,2-8H2,1H3
InChIKeyHCGZZLSKQNOLQZ-UHFFFAOYSA-N
MW200.28 g/mol
LogP0.04
Rot. Bonds3

About N-(1,3-dioxan-4-ylmethyl)-N-methylpyrrolidin-3-amine

N-(1,3-dioxan-4-ylmethyl)-N-methylpyrrolidin-3-amine (PubChem CID 63298087) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is N-(1,3-dioxan-4-ylmethyl)-N-methylpyrrolidin-3-amine.

Molecular Properties

Compound NameN-(1,3-dioxan-4-ylmethyl)-N-methylpyrrolidin-3-amine
PubChem CID63298087
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC NameN-(1,3-dioxan-4-ylmethyl)-N-methylpyrrolidin-3-amine
SMILESCN(CC1CCOCO1)C1CCNC1
InChIInChI=1S/C10H20N2O2/c1-12(9-2-4-11-6-9)7-10-3-5-13-8-14-10/h9-11H,2-8H2,1H3
InChIKeyHCGZZLSKQNOLQZ-UHFFFAOYSA-N
XLogP0.04
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 50.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-dioxan-4-ylmethyl)-N-methylpyrrolidin-3-amine?
The IUPAC name of N-(1,3-dioxan-4-ylmethyl)-N-methylpyrrolidin-3-amine (CID 63298087) is N-(1,3-dioxan-4-ylmethyl)-N-methylpyrrolidin-3-amine.
What is the SMILES notation for N-(1,3-dioxan-4-ylmethyl)-N-methylpyrrolidin-3-amine?
The canonical SMILES for N-(1,3-dioxan-4-ylmethyl)-N-methylpyrrolidin-3-amine is CN(CC1CCOCO1)C1CCNC1.
What is the InChIKey of N-(1,3-dioxan-4-ylmethyl)-N-methylpyrrolidin-3-amine?
The InChIKey is HCGZZLSKQNOLQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2/c1-12(9-2-4-11-6-9)7-10-3-5-13-8-14-10/h9-11H,2-8H2,1H3.
What are the key properties of N-(1,3-dioxan-4-ylmethyl)-N-methylpyrrolidin-3-amine?
N-(1,3-dioxan-4-ylmethyl)-N-methylpyrrolidin-3-amine has a molecular weight of 200.28 g/mol, XLogP of 0.04, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dioxan-4-ylmethyl)-N-methylpyrrolidin-3-amine is sourced from PubChem (CID 63298087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).