N-(3-aminopropyl)-2-methyl-N-propyloxolane-3-carboxamide

C12H24N2O2 — CID 79750666

IUPACN-(3-aminopropyl)-2-methyl-N-propyloxolane-3-carboxamide
SMILESCCCN(CCCN)C(=O)C1CCOC1C
InChIInChI=1S/C12H24N2O2/c1-3-7-14(8-4-6-13)12(15)11-5-9-16-10(11)2/h10-11H,3-9,13H2,1-2H3
InChIKeyDCVYLJXKQKHTGO-UHFFFAOYSA-N
MW228.34 g/mol
LogP1.00
Rot. Bonds6

About N-(3-aminopropyl)-2-methyl-N-propyloxolane-3-carboxamide

N-(3-aminopropyl)-2-methyl-N-propyloxolane-3-carboxamide (PubChem CID 79750666) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is N-(3-aminopropyl)-2-methyl-N-propyloxolane-3-carboxamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-2-methyl-N-propyloxolane-3-carboxamide
PubChem CID79750666
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC NameN-(3-aminopropyl)-2-methyl-N-propyloxolane-3-carboxamide
SMILESCCCN(CCCN)C(=O)C1CCOC1C
InChIInChI=1S/C12H24N2O2/c1-3-7-14(8-4-6-13)12(15)11-5-9-16-10(11)2/h10-11H,3-9,13H2,1-2H3
InChIKeyDCVYLJXKQKHTGO-UHFFFAOYSA-N
XLogP1.00
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-aminopropyl)-2-methyl-N-phenyloxolane-3-carboxamide
CID 79750074
N-(3-aminopropyl)-N-propylbicyclo[2.2.1]heptane-2-carboxamide
CID 61363750
N-(3-aminopropyl)-N-propylcycloheptanecarboxamide
CID 55091581
N-(3-aminopropyl)-2,4,5-trimethyl-N-propyloxolane-3-carboxamide
CID 65152019
N-(3-aminopropyl)-N-ethyl-2-methylcyclopropane-1-carboxamide
CID 43136497
N-(3-aminopropyl)-N-(4-fluorophenyl)-2-methyloxolane-3-carboxamide
CID 79750448
methyl 3-[ethyl-(2-methyloxolane-3-carbonyl)amino]propanoate
CID 79762794
(2R,3S)-N-ethyl-N-(2-hydroxyethyl)-2-methyloxane-3-carboxamide
CID 129399565
(2R,3R)-N-ethyl-N-(2-hydroxyethyl)-2-methyloxane-3-carboxamide
CID 129399564
4-[methyl-(2-methyloxolane-3-carbonyl)amino]butanoic acid
CID 79750382
2-[methyl-(2-methyloxolane-3-carbonyl)amino]acetic acid
CID 79750680
N-(2-amino-2-sulfanylideneethyl)-N,2-dimethyloxolane-3-carboxamide
CID 79758470

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-2-methyl-N-propyloxolane-3-carboxamide?
The IUPAC name of N-(3-aminopropyl)-2-methyl-N-propyloxolane-3-carboxamide (CID 79750666) is N-(3-aminopropyl)-2-methyl-N-propyloxolane-3-carboxamide.
What is the SMILES notation for N-(3-aminopropyl)-2-methyl-N-propyloxolane-3-carboxamide?
The canonical SMILES for N-(3-aminopropyl)-2-methyl-N-propyloxolane-3-carboxamide is CCCN(CCCN)C(=O)C1CCOC1C.
What is the InChIKey of N-(3-aminopropyl)-2-methyl-N-propyloxolane-3-carboxamide?
The InChIKey is DCVYLJXKQKHTGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-3-7-14(8-4-6-13)12(15)11-5-9-16-10(11)2/h10-11H,3-9,13H2,1-2H3.
What are the key properties of N-(3-aminopropyl)-2-methyl-N-propyloxolane-3-carboxamide?
N-(3-aminopropyl)-2-methyl-N-propyloxolane-3-carboxamide has a molecular weight of 228.34 g/mol, XLogP of 1.00, 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-methyl-N-propyloxolane-3-carboxamide is sourced from PubChem (CID 79750666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).