1-ethyl-3-[(3-propan-2-ylpyrrolidin-1-yl)methyl]pyrrolidine

C14H28N2 — CID 167479940

IUPAC1-ethyl-3-[(3-propan-2-ylpyrrolidin-1-yl)methyl]pyrrolidine
SMILESCCN1CCC(CN2CCC(C(C)C)C2)C1
InChIInChI=1S/C14H28N2/c1-4-15-7-5-13(9-15)10-16-8-6-14(11-16)12(2)3/h12-14H,4-11H2,1-3H3
InChIKeyAZDJWNBJXUIQJA-UHFFFAOYSA-N
MW224.39 g/mol
LogP2.31
Rot. Bonds4

About 1-ethyl-3-[(3-propan-2-ylpyrrolidin-1-yl)methyl]pyrrolidine

1-ethyl-3-[(3-propan-2-ylpyrrolidin-1-yl)methyl]pyrrolidine (PubChem CID 167479940) has the molecular formula C14H28N2 and a molecular weight of 224.39 g/mol. Its IUPAC name is 1-ethyl-3-[(3-propan-2-ylpyrrolidin-1-yl)methyl]pyrrolidine.

Molecular Properties

Compound Name1-ethyl-3-[(3-propan-2-ylpyrrolidin-1-yl)methyl]pyrrolidine
PubChem CID167479940
Molecular FormulaC14H28N2
Molecular Weight224.39 g/mol
Exact Mass224.23
IUPAC Name1-ethyl-3-[(3-propan-2-ylpyrrolidin-1-yl)methyl]pyrrolidine
SMILESCCN1CCC(CN2CCC(C(C)C)C2)C1
InChIInChI=1S/C14H28N2/c1-4-15-7-5-13(9-15)10-16-8-6-14(11-16)12(2)3/h12-14H,4-11H2,1-3H3
InChIKeyAZDJWNBJXUIQJA-UHFFFAOYSA-N
XLogP2.31
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.39
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;1-ethyl-4-[(3-propan-2-ylpyrrolidin-1-yl)methyl]piperidine
CID 178154612
ethane;1-[(1-ethylpyrrolidin-3-yl)methyl]-4-(4-propan-2-ylpiperidin-1-yl)piperidine
CID 177135021
1-(cyclopentylmethyl)-4-propan-2-ylpiperidine
CID 142532061
1-[(1-ethylpyrrolidin-3-yl)methyl]-3-(2-methylpropyl)-1,4-diazepane
CID 64944188
1-[(1-ethylpyrrolidin-3-yl)methyl]piperidin-4-one
CID 60857529
N-[(1-ethylpyrrolidin-3-yl)methyl]pentan-2-amine
CID 60857491
1,3-diethylpyrrolidine;ethane
CID 145103245
1-(cyclobutylmethyl)-4-propan-2-ylpiperidine;ethane
CID 170608342
(3R)-3-(difluoromethyl)-1-ethylpyrrolidine
CID 130339062
(1R)-1-(1-ethylpyrrolidin-3-yl)-N,N-dimethylethanamine
CID 163831391
3-propan-2-yl-1-[[(2R)-pyrrolidin-2-yl]methyl]pyrrolidine
CID 102819669
1-propan-2-yl-4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazine;1-propan-2-yl-4-[(4-propan-2-ylpiperidin-1-yl)methyl]piperidine
CID 167695333

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[(3-propan-2-ylpyrrolidin-1-yl)methyl]pyrrolidine?
The IUPAC name of 1-ethyl-3-[(3-propan-2-ylpyrrolidin-1-yl)methyl]pyrrolidine (CID 167479940) is 1-ethyl-3-[(3-propan-2-ylpyrrolidin-1-yl)methyl]pyrrolidine.
What is the SMILES notation for 1-ethyl-3-[(3-propan-2-ylpyrrolidin-1-yl)methyl]pyrrolidine?
The canonical SMILES for 1-ethyl-3-[(3-propan-2-ylpyrrolidin-1-yl)methyl]pyrrolidine is CCN1CCC(CN2CCC(C(C)C)C2)C1.
What is the InChIKey of 1-ethyl-3-[(3-propan-2-ylpyrrolidin-1-yl)methyl]pyrrolidine?
The InChIKey is AZDJWNBJXUIQJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2/c1-4-15-7-5-13(9-15)10-16-8-6-14(11-16)12(2)3/h12-14H,4-11H2,1-3H3.
What are the key properties of 1-ethyl-3-[(3-propan-2-ylpyrrolidin-1-yl)methyl]pyrrolidine?
1-ethyl-3-[(3-propan-2-ylpyrrolidin-1-yl)methyl]pyrrolidine has a molecular weight of 224.39 g/mol, XLogP of 2.31, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[(3-propan-2-ylpyrrolidin-1-yl)methyl]pyrrolidine is sourced from PubChem (CID 167479940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).