N-(3-aminopropyl)-N,2,4,5-tetramethyloxolane-3-carboxamide

C12H24N2O2 — CID 65152556

IUPACN-(3-aminopropyl)-N,2,4,5-tetramethyloxolane-3-carboxamide
SMILESCC1OC(C)C(C(=O)N(C)CCCN)C1C
InChIInChI=1S/C12H24N2O2/c1-8-9(2)16-10(3)11(8)12(15)14(4)7-5-6-13/h8-11H,5-7,13H2,1-4H3
InChIKeyYJCRFCCCBQFZHY-UHFFFAOYSA-N
MW228.34 g/mol
LogP0.85
Rot. Bonds4

About N-(3-aminopropyl)-N,2,4,5-tetramethyloxolane-3-carboxamide

N-(3-aminopropyl)-N,2,4,5-tetramethyloxolane-3-carboxamide (PubChem CID 65152556) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is N-(3-aminopropyl)-N,2,4,5-tetramethyloxolane-3-carboxamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-N,2,4,5-tetramethyloxolane-3-carboxamide
PubChem CID65152556
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC NameN-(3-aminopropyl)-N,2,4,5-tetramethyloxolane-3-carboxamide
SMILESCC1OC(C)C(C(=O)N(C)CCCN)C1C
InChIInChI=1S/C12H24N2O2/c1-8-9(2)16-10(3)11(8)12(15)14(4)7-5-6-13/h8-11H,5-7,13H2,1-4H3
InChIKeyYJCRFCCCBQFZHY-UHFFFAOYSA-N
XLogP0.85
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 50.85
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,2,4,5-tetramethyloxolane-3-carboxamide?
The IUPAC name of N-(3-aminopropyl)-N,2,4,5-tetramethyloxolane-3-carboxamide (CID 65152556) is N-(3-aminopropyl)-N,2,4,5-tetramethyloxolane-3-carboxamide.
What is the SMILES notation for N-(3-aminopropyl)-N,2,4,5-tetramethyloxolane-3-carboxamide?
The canonical SMILES for N-(3-aminopropyl)-N,2,4,5-tetramethyloxolane-3-carboxamide is CC1OC(C)C(C(=O)N(C)CCCN)C1C.
What is the InChIKey of N-(3-aminopropyl)-N,2,4,5-tetramethyloxolane-3-carboxamide?
The InChIKey is YJCRFCCCBQFZHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-8-9(2)16-10(3)11(8)12(15)14(4)7-5-6-13/h8-11H,5-7,13H2,1-4H3.
What are the key properties of N-(3-aminopropyl)-N,2,4,5-tetramethyloxolane-3-carboxamide?
N-(3-aminopropyl)-N,2,4,5-tetramethyloxolane-3-carboxamide has a molecular weight of 228.34 g/mol, XLogP of 0.85, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-N,2,4,5-tetramethyloxolane-3-carboxamide is sourced from PubChem (CID 65152556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).