N-(2,2-diethoxyethyl)-3-methylpyrrolidin-3-amine

C11H24N2O2 — CID 107424198

IUPACN-(2,2-diethoxyethyl)-3-methylpyrrolidin-3-amine
SMILESCCOC(CNC1(C)CCNC1)OCC
InChIInChI=1S/C11H24N2O2/c1-4-14-10(15-5-2)8-13-11(3)6-7-12-9-11/h10,12-13H,4-9H2,1-3H3
InChIKeyWKCPTMQYEXZSSE-UHFFFAOYSA-N
MW216.32 g/mol
LogP0.73
Rot. Bonds7

About N-(2,2-diethoxyethyl)-3-methylpyrrolidin-3-amine

N-(2,2-diethoxyethyl)-3-methylpyrrolidin-3-amine (PubChem CID 107424198) has the molecular formula C11H24N2O2 and a molecular weight of 216.32 g/mol. Its IUPAC name is N-(2,2-diethoxyethyl)-3-methylpyrrolidin-3-amine.

Molecular Properties

Compound NameN-(2,2-diethoxyethyl)-3-methylpyrrolidin-3-amine
PubChem CID107424198
Molecular FormulaC11H24N2O2
Molecular Weight216.32 g/mol
Exact Mass216.18
IUPAC NameN-(2,2-diethoxyethyl)-3-methylpyrrolidin-3-amine
SMILESCCOC(CNC1(C)CCNC1)OCC
InChIInChI=1S/C11H24N2O2/c1-4-14-10(15-5-2)8-13-11(3)6-7-12-9-11/h10,12-13H,4-9H2,1-3H3
InChIKeyWKCPTMQYEXZSSE-UHFFFAOYSA-N
XLogP0.73
TPSA42.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

3-methyl-N-(2-methylbutyl)pyrrolidin-3-amine
CID 107424428
N-ethyl-3-methylpyrrolidin-3-amine
CID 107423762
methyl 2-methyl-3-[(3-methylpyrrolidin-3-yl)amino]propanoate
CID 107424033
2-ethoxy-N-(3-methylpyrrolidin-3-yl)acetamide
CID 107422673
N-but-2-ynyl-3-methylpyrrolidin-3-amine
CID 107424050
N-(3-methoxy-3-methylbutyl)-3-methylpyrrolidin-3-amine
CID 107423458
5-[(3-methylpyrrolidin-3-yl)amino]pentan-1-ol
CID 107424334
N,N-dibutyl-2-[(3-methylpyrrolidin-3-yl)amino]acetamide
CID 107423973
2-[(3-methylpyrrolidin-3-yl)amino]-1-pyrrolidin-1-ylethanone
CID 107424618
2-[(3-methylpyrrolidin-3-yl)amino]-N-(3-propan-2-yloxypropyl)acetamide
CID 107424328
3-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyrrolidin-3-amine
CID 107424430
N-(3-methylpyrrolidin-3-yl)-3-propoxypropanamide
CID 107422647

Frequently Asked Questions

What is the IUPAC name of N-(2,2-diethoxyethyl)-3-methylpyrrolidin-3-amine?
The IUPAC name of N-(2,2-diethoxyethyl)-3-methylpyrrolidin-3-amine (CID 107424198) is N-(2,2-diethoxyethyl)-3-methylpyrrolidin-3-amine.
What is the SMILES notation for N-(2,2-diethoxyethyl)-3-methylpyrrolidin-3-amine?
The canonical SMILES for N-(2,2-diethoxyethyl)-3-methylpyrrolidin-3-amine is CCOC(CNC1(C)CCNC1)OCC.
What is the InChIKey of N-(2,2-diethoxyethyl)-3-methylpyrrolidin-3-amine?
The InChIKey is WKCPTMQYEXZSSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O2/c1-4-14-10(15-5-2)8-13-11(3)6-7-12-9-11/h10,12-13H,4-9H2,1-3H3.
What are the key properties of N-(2,2-diethoxyethyl)-3-methylpyrrolidin-3-amine?
N-(2,2-diethoxyethyl)-3-methylpyrrolidin-3-amine has a molecular weight of 216.32 g/mol, XLogP of 0.73, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-diethoxyethyl)-3-methylpyrrolidin-3-amine is sourced from PubChem (CID 107424198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).