N-(3-aminopropyl)-2,4,5-trimethyl-N-propyloxolane-3-carboxamide

C14H28N2O2 — CID 65152019

IUPACN-(3-aminopropyl)-2,4,5-trimethyl-N-propyloxolane-3-carboxamide
SMILESCCCN(CCCN)C(=O)C1C(C)OC(C)C1C
InChIInChI=1S/C14H28N2O2/c1-5-8-16(9-6-7-15)14(17)13-10(2)11(3)18-12(13)4/h10-13H,5-9,15H2,1-4H3
InChIKeyKDKSTESLDCHKOY-UHFFFAOYSA-N
MW256.39 g/mol
LogP1.63
Rot. Bonds6

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

N-(3-aminopropyl)-2,4,5-trimethyl-N-propyloxolane-3-carboxamide (PubChem CID 65152019) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is N-(3-aminopropyl)-2,4,5-trimethyl-N-propyloxolane-3-carboxamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-2,4,5-trimethyl-N-propyloxolane-3-carboxamide
PubChem CID65152019
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC NameN-(3-aminopropyl)-2,4,5-trimethyl-N-propyloxolane-3-carboxamide
SMILESCCCN(CCCN)C(=O)C1C(C)OC(C)C1C
InChIInChI=1S/C14H28N2O2/c1-5-8-16(9-6-7-15)14(17)13-10(2)11(3)18-12(13)4/h10-13H,5-9,15H2,1-4H3
InChIKeyKDKSTESLDCHKOY-UHFFFAOYSA-N
XLogP1.63
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-2,4,5-trimethyl-N-propyloxolane-3-carboxamide?
The IUPAC name of N-(3-aminopropyl)-2,4,5-trimethyl-N-propyloxolane-3-carboxamide (CID 65152019) is N-(3-aminopropyl)-2,4,5-trimethyl-N-propyloxolane-3-carboxamide.
What is the SMILES notation for N-(3-aminopropyl)-2,4,5-trimethyl-N-propyloxolane-3-carboxamide?
The canonical SMILES for N-(3-aminopropyl)-2,4,5-trimethyl-N-propyloxolane-3-carboxamide is CCCN(CCCN)C(=O)C1C(C)OC(C)C1C.
What is the InChIKey of N-(3-aminopropyl)-2,4,5-trimethyl-N-propyloxolane-3-carboxamide?
The InChIKey is KDKSTESLDCHKOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-5-8-16(9-6-7-15)14(17)13-10(2)11(3)18-12(13)4/h10-13H,5-9,15H2,1-4H3.
What are the key properties of N-(3-aminopropyl)-2,4,5-trimethyl-N-propyloxolane-3-carboxamide?
N-(3-aminopropyl)-2,4,5-trimethyl-N-propyloxolane-3-carboxamide has a molecular weight of 256.39 g/mol, XLogP of 1.63, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-2,4,5-trimethyl-N-propyloxolane-3-carboxamide is sourced from PubChem (CID 65152019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).