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

C12H24N2O2 — CID 63300897

IUPACN-(1,3-dioxan-4-ylmethyl)-N-propylpyrrolidin-3-amine
SMILESCCCN(CC1CCOCO1)C1CCNC1
InChIInChI=1S/C12H24N2O2/c1-2-6-14(11-3-5-13-8-11)9-12-4-7-15-10-16-12/h11-13H,2-10H2,1H3
InChIKeyDIEFEBNNINTKJF-UHFFFAOYSA-N
MW228.34 g/mol
LogP0.82
Rot. Bonds5

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

N-(1,3-dioxan-4-ylmethyl)-N-propylpyrrolidin-3-amine (PubChem CID 63300897) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is N-(1,3-dioxan-4-ylmethyl)-N-propylpyrrolidin-3-amine.

Molecular Properties

Compound NameN-(1,3-dioxan-4-ylmethyl)-N-propylpyrrolidin-3-amine
PubChem CID63300897
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC NameN-(1,3-dioxan-4-ylmethyl)-N-propylpyrrolidin-3-amine
SMILESCCCN(CC1CCOCO1)C1CCNC1
InChIInChI=1S/C12H24N2O2/c1-2-6-14(11-3-5-13-8-11)9-12-4-7-15-10-16-12/h11-13H,2-10H2,1H3
InChIKeyDIEFEBNNINTKJF-UHFFFAOYSA-N
XLogP0.82
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 50.82
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-propylpyrrolidin-3-amine?
The IUPAC name of N-(1,3-dioxan-4-ylmethyl)-N-propylpyrrolidin-3-amine (CID 63300897) is N-(1,3-dioxan-4-ylmethyl)-N-propylpyrrolidin-3-amine.
What is the SMILES notation for N-(1,3-dioxan-4-ylmethyl)-N-propylpyrrolidin-3-amine?
The canonical SMILES for N-(1,3-dioxan-4-ylmethyl)-N-propylpyrrolidin-3-amine is CCCN(CC1CCOCO1)C1CCNC1.
What is the InChIKey of N-(1,3-dioxan-4-ylmethyl)-N-propylpyrrolidin-3-amine?
The InChIKey is DIEFEBNNINTKJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-2-6-14(11-3-5-13-8-11)9-12-4-7-15-10-16-12/h11-13H,2-10H2,1H3.
What are the key properties of N-(1,3-dioxan-4-ylmethyl)-N-propylpyrrolidin-3-amine?
N-(1,3-dioxan-4-ylmethyl)-N-propylpyrrolidin-3-amine has a molecular weight of 228.34 g/mol, XLogP of 0.82, 5 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-propylpyrrolidin-3-amine is sourced from PubChem (CID 63300897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).