N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-2,2-dimethyl-1,3-dioxan-5-amine

C14H26N2O2 — CID 106658574

IUPACN-[(1-cyclopropylpyrrolidin-3-yl)methyl]-2,2-dimethyl-1,3-dioxan-5-amine
SMILESCC1(C)OCC(NCC2CCN(C3CC3)C2)CO1
InChIInChI=1S/C14H26N2O2/c1-14(2)17-9-12(10-18-14)15-7-11-5-6-16(8-11)13-3-4-13/h11-13,15H,3-10H2,1-2H3
InChIKeyYUHKXCYOVVJZIC-UHFFFAOYSA-N
MW254.37 g/mol
LogP1.21
Rot. Bonds4

About N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-2,2-dimethyl-1,3-dioxan-5-amine

N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-2,2-dimethyl-1,3-dioxan-5-amine (PubChem CID 106658574) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-2,2-dimethyl-1,3-dioxan-5-amine.

Molecular Properties

Compound NameN-[(1-cyclopropylpyrrolidin-3-yl)methyl]-2,2-dimethyl-1,3-dioxan-5-amine
PubChem CID106658574
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC NameN-[(1-cyclopropylpyrrolidin-3-yl)methyl]-2,2-dimethyl-1,3-dioxan-5-amine
SMILESCC1(C)OCC(NCC2CCN(C3CC3)C2)CO1
InChIInChI=1S/C14H26N2O2/c1-14(2)17-9-12(10-18-14)15-7-11-5-6-16(8-11)13-3-4-13/h11-13,15H,3-10H2,1-2H3
InChIKeyYUHKXCYOVVJZIC-UHFFFAOYSA-N
XLogP1.21
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-2,2-dimethyl-1,3-dioxan-5-amine?
The IUPAC name of N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-2,2-dimethyl-1,3-dioxan-5-amine (CID 106658574) is N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-2,2-dimethyl-1,3-dioxan-5-amine.
What is the SMILES notation for N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-2,2-dimethyl-1,3-dioxan-5-amine?
The canonical SMILES for N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-2,2-dimethyl-1,3-dioxan-5-amine is CC1(C)OCC(NCC2CCN(C3CC3)C2)CO1.
What is the InChIKey of N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-2,2-dimethyl-1,3-dioxan-5-amine?
The InChIKey is YUHKXCYOVVJZIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-14(2)17-9-12(10-18-14)15-7-11-5-6-16(8-11)13-3-4-13/h11-13,15H,3-10H2,1-2H3.
What are the key properties of N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-2,2-dimethyl-1,3-dioxan-5-amine?
N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-2,2-dimethyl-1,3-dioxan-5-amine has a molecular weight of 254.37 g/mol, XLogP of 1.21, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-2,2-dimethyl-1,3-dioxan-5-amine is sourced from PubChem (CID 106658574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).