N-(3-aminopropyl)-5-methyl-N-propan-2-yloxolane-2-carboxamide

C12H24N2O2 — CID 81325316

IUPACN-(3-aminopropyl)-5-methyl-N-propan-2-yloxolane-2-carboxamide
SMILESCC1CCC(C(=O)N(CCCN)C(C)C)O1
InChIInChI=1S/C12H24N2O2/c1-9(2)14(8-4-7-13)12(15)11-6-5-10(3)16-11/h9-11H,4-8,13H2,1-3H3
InChIKeyBRRKFKARXJTKPF-UHFFFAOYSA-N
MW228.34 g/mol
LogP1.14
Rot. Bonds5

About N-(3-aminopropyl)-5-methyl-N-propan-2-yloxolane-2-carboxamide

N-(3-aminopropyl)-5-methyl-N-propan-2-yloxolane-2-carboxamide (PubChem CID 81325316) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is N-(3-aminopropyl)-5-methyl-N-propan-2-yloxolane-2-carboxamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-5-methyl-N-propan-2-yloxolane-2-carboxamide
PubChem CID81325316
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC NameN-(3-aminopropyl)-5-methyl-N-propan-2-yloxolane-2-carboxamide
SMILESCC1CCC(C(=O)N(CCCN)C(C)C)O1
InChIInChI=1S/C12H24N2O2/c1-9(2)14(8-4-7-13)12(15)11-6-5-10(3)16-11/h9-11H,4-8,13H2,1-3H3
InChIKeyBRRKFKARXJTKPF-UHFFFAOYSA-N
XLogP1.14
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 43136679
5-methyl-N-(piperidin-2-ylmethyl)-N-propan-2-yloxolane-2-carboxamide
CID 106626417
N-[(2-aminophenyl)methyl]-5-methyl-N-propan-2-yloxolane-2-carboxamide
CID 81324279
N-(5-aminopentan-2-yl)-5-methyloxolane-2-carboxamide
CID 81326874
3-[ethyl-(5-methyloxolane-2-carbonyl)amino]butanoic acid
CID 81324296
N-(5-hydroxypentyl)-N,5-dimethyloxolane-2-carboxamide
CID 107202647
N-(2-aminoethyl)-N-propan-2-yloxolane-2-carboxamide
CID 61349708
5-[2-methoxyethyl(propan-2-yl)carbamoyl]oxolane-2-carboxylic acid
CID 102688859
N-(3-aminopropyl)-2-cyclohexyl-N-propan-2-ylacetamide
CID 43136622
N-(3-bromopropyl)-N-cyclobutyl-5-methyloxolane-2-carboxamide
CID 102872448
N-(3-amino-3-hydroxyiminopropyl)-5-methyl-N-(2-methylpropyl)oxolane-2-carboxamide
CID 81327965
N-(2-aminoethyl)-N-propan-2-ylcyclohexanecarboxamide
CID 28707843

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-5-methyl-N-propan-2-yloxolane-2-carboxamide?
The IUPAC name of N-(3-aminopropyl)-5-methyl-N-propan-2-yloxolane-2-carboxamide (CID 81325316) is N-(3-aminopropyl)-5-methyl-N-propan-2-yloxolane-2-carboxamide.
What is the SMILES notation for N-(3-aminopropyl)-5-methyl-N-propan-2-yloxolane-2-carboxamide?
The canonical SMILES for N-(3-aminopropyl)-5-methyl-N-propan-2-yloxolane-2-carboxamide is CC1CCC(C(=O)N(CCCN)C(C)C)O1.
What is the InChIKey of N-(3-aminopropyl)-5-methyl-N-propan-2-yloxolane-2-carboxamide?
The InChIKey is BRRKFKARXJTKPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-9(2)14(8-4-7-13)12(15)11-6-5-10(3)16-11/h9-11H,4-8,13H2,1-3H3.
What are the key properties of N-(3-aminopropyl)-5-methyl-N-propan-2-yloxolane-2-carboxamide?
N-(3-aminopropyl)-5-methyl-N-propan-2-yloxolane-2-carboxamide has a molecular weight of 228.34 g/mol, XLogP of 1.14, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-5-methyl-N-propan-2-yloxolane-2-carboxamide is sourced from PubChem (CID 81325316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).