N-(3-aminopropyl)-N-cyclobutyl-1,4-dioxane-2-carboxamide

C12H22N2O3 — CID 102873929

IUPACN-(3-aminopropyl)-N-cyclobutyl-1,4-dioxane-2-carboxamide
SMILESNCCCN(C(=O)C1COCCO1)C1CCC1
InChIInChI=1S/C12H22N2O3/c13-5-2-6-14(10-3-1-4-10)12(15)11-9-16-7-8-17-11/h10-11H,1-9,13H2
InChIKeyZOYHGZZMVPLNDR-UHFFFAOYSA-N
MW242.32 g/mol
LogP0.13
Rot. Bonds5

About N-(3-aminopropyl)-N-cyclobutyl-1,4-dioxane-2-carboxamide

N-(3-aminopropyl)-N-cyclobutyl-1,4-dioxane-2-carboxamide (PubChem CID 102873929) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is N-(3-aminopropyl)-N-cyclobutyl-1,4-dioxane-2-carboxamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-N-cyclobutyl-1,4-dioxane-2-carboxamide
PubChem CID102873929
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC NameN-(3-aminopropyl)-N-cyclobutyl-1,4-dioxane-2-carboxamide
SMILESNCCCN(C(=O)C1COCCO1)C1CCC1
InChIInChI=1S/C12H22N2O3/c13-5-2-6-14(10-3-1-4-10)12(15)11-9-16-7-8-17-11/h10-11H,1-9,13H2
InChIKeyZOYHGZZMVPLNDR-UHFFFAOYSA-N
XLogP0.13
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 50.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-aminoethyl)-N-cyclobutyl-1,4-dioxane-2-carboxamide
CID 102874180
N-(2-bromoethyl)-N-cyclopentyl-1,4-dioxane-2-carboxamide
CID 80658716
N-(3-aminopropyl)-N-cyclohexyloxolane-2-carboxamide
CID 43136866
N-(3-amino-3-sulfanylidenepropyl)-N-cyclopropyl-1,4-dioxane-2-carboxamide
CID 62804896
N-(3-aminopropyl)-N-cyclohexyloxane-3-carboxamide
CID 55149190
N-(3-aminopropyl)-N-cyclobutyloxane-4-carboxamide
CID 102873819
2-[cyclopropyl(1,4-dioxane-2-carbonyl)amino]acetic acid
CID 60825516
N-(2-aminoethyl)-N-cyclopentyloxolane-2-carboxamide
CID 63754436
N-(3-aminopropyl)-N-cyclohexylcycloheptanecarboxamide
CID 62586831
(2R)-N-cyclobutyl-N-(3-hydroxypropyl)oxolane-2-carboxamide
CID 102866742
N-propyl-N-pyrrolidin-3-yl-1,4-dioxane-2-carboxamide
CID 62799373
N-(2-aminoethyl)-N-cyclopentyloxane-3-carboxamide
CID 63755880

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-N-cyclobutyl-1,4-dioxane-2-carboxamide?
The IUPAC name of N-(3-aminopropyl)-N-cyclobutyl-1,4-dioxane-2-carboxamide (CID 102873929) is N-(3-aminopropyl)-N-cyclobutyl-1,4-dioxane-2-carboxamide.
What is the SMILES notation for N-(3-aminopropyl)-N-cyclobutyl-1,4-dioxane-2-carboxamide?
The canonical SMILES for N-(3-aminopropyl)-N-cyclobutyl-1,4-dioxane-2-carboxamide is NCCCN(C(=O)C1COCCO1)C1CCC1.
What is the InChIKey of N-(3-aminopropyl)-N-cyclobutyl-1,4-dioxane-2-carboxamide?
The InChIKey is ZOYHGZZMVPLNDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c13-5-2-6-14(10-3-1-4-10)12(15)11-9-16-7-8-17-11/h10-11H,1-9,13H2.
What are the key properties of N-(3-aminopropyl)-N-cyclobutyl-1,4-dioxane-2-carboxamide?
N-(3-aminopropyl)-N-cyclobutyl-1,4-dioxane-2-carboxamide has a molecular weight of 242.32 g/mol, XLogP of 0.13, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-N-cyclobutyl-1,4-dioxane-2-carboxamide is sourced from PubChem (CID 102873929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).