N-(3-aminopropyl)-N-propan-2-yloxolane-2-carboxamide

C11H22N2O2 — CID 43136676

IUPACN-(3-aminopropyl)-N-propan-2-yloxolane-2-carboxamide
SMILESCC(C)N(CCCN)C(=O)C1CCCO1
InChIInChI=1S/C11H22N2O2/c1-9(2)13(7-4-6-12)11(14)10-5-3-8-15-10/h9-10H,3-8,12H2,1-2H3
InChIKeyMONYOTCTSZEHDO-UHFFFAOYSA-N
MW214.31 g/mol
LogP0.75
Rot. Bonds5

About N-(3-aminopropyl)-N-propan-2-yloxolane-2-carboxamide

N-(3-aminopropyl)-N-propan-2-yloxolane-2-carboxamide (PubChem CID 43136676) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is N-(3-aminopropyl)-N-propan-2-yloxolane-2-carboxamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-N-propan-2-yloxolane-2-carboxamide
PubChem CID43136676
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC NameN-(3-aminopropyl)-N-propan-2-yloxolane-2-carboxamide
SMILESCC(C)N(CCCN)C(=O)C1CCCO1
InChIInChI=1S/C11H22N2O2/c1-9(2)13(7-4-6-12)11(14)10-5-3-8-15-10/h9-10H,3-8,12H2,1-2H3
InChIKeyMONYOTCTSZEHDO-UHFFFAOYSA-N
XLogP0.75
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-N-propan-2-yloxolane-2-carboxamide?
The IUPAC name of N-(3-aminopropyl)-N-propan-2-yloxolane-2-carboxamide (CID 43136676) is N-(3-aminopropyl)-N-propan-2-yloxolane-2-carboxamide.
What is the SMILES notation for N-(3-aminopropyl)-N-propan-2-yloxolane-2-carboxamide?
The canonical SMILES for N-(3-aminopropyl)-N-propan-2-yloxolane-2-carboxamide is CC(C)N(CCCN)C(=O)C1CCCO1.
What is the InChIKey of N-(3-aminopropyl)-N-propan-2-yloxolane-2-carboxamide?
The InChIKey is MONYOTCTSZEHDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-9(2)13(7-4-6-12)11(14)10-5-3-8-15-10/h9-10H,3-8,12H2,1-2H3.
What are the key properties of N-(3-aminopropyl)-N-propan-2-yloxolane-2-carboxamide?
N-(3-aminopropyl)-N-propan-2-yloxolane-2-carboxamide has a molecular weight of 214.31 g/mol, XLogP of 0.75, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-N-propan-2-yloxolane-2-carboxamide is sourced from PubChem (CID 43136676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).