1-[(3-ethylpyrrolidin-3-yl)methyl]-3-pyrrolidin-1-ylpyrrolidine

C15H29N3 — CID 55224749

IUPAC1-[(3-ethylpyrrolidin-3-yl)methyl]-3-pyrrolidin-1-ylpyrrolidine
SMILESCCC1(CN2CCC(N3CCCC3)C2)CCNC1
InChIInChI=1S/C15H29N3/c1-2-15(6-7-16-12-15)13-17-10-5-14(11-17)18-8-3-4-9-18/h14,16H,2-13H2,1H3
InChIKeySGKMQCFOJGABCB-UHFFFAOYSA-N
MW251.42 g/mol
LogP1.55
Rot. Bonds4

About 1-[(3-ethylpyrrolidin-3-yl)methyl]-3-pyrrolidin-1-ylpyrrolidine

1-[(3-ethylpyrrolidin-3-yl)methyl]-3-pyrrolidin-1-ylpyrrolidine (PubChem CID 55224749) has the molecular formula C15H29N3 and a molecular weight of 251.42 g/mol. Its IUPAC name is 1-[(3-ethylpyrrolidin-3-yl)methyl]-3-pyrrolidin-1-ylpyrrolidine.

Molecular Properties

Compound Name1-[(3-ethylpyrrolidin-3-yl)methyl]-3-pyrrolidin-1-ylpyrrolidine
PubChem CID55224749
Molecular FormulaC15H29N3
Molecular Weight251.42 g/mol
Exact Mass251.24
IUPAC Name1-[(3-ethylpyrrolidin-3-yl)methyl]-3-pyrrolidin-1-ylpyrrolidine
SMILESCCC1(CN2CCC(N3CCCC3)C2)CCNC1
InChIInChI=1S/C15H29N3/c1-2-15(6-7-16-12-15)13-17-10-5-14(11-17)18-8-3-4-9-18/h14,16H,2-13H2,1H3
InChIKeySGKMQCFOJGABCB-UHFFFAOYSA-N
XLogP1.55
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.42
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-ethylpiperidin-4-yl)methyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 79934958
4-piperidin-1-yl-1-[(3-propylpyrrolidin-3-yl)methyl]piperidine
CID 63142981
2-[(1-ethylcyclopentyl)methyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 114124886
[1-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]cyclopentyl]methanamine
CID 63168694
1-[(3-ethylpyrrolidin-3-yl)methyl]-3-methoxypiperidine
CID 102963677
1-[(3-methylpyrrolidin-3-yl)methyl]-3-pyrrolidin-1-ylazepane
CID 120899609
[1-[(3-piperidin-1-ylpyrrolidin-1-yl)methyl]cyclopropyl]methanamine
CID 115453856
1-(cyclopropylmethyl)-4-[(3-ethylpyrrolidin-3-yl)methyl]piperazine
CID 55165550
1-[(3-ethylpyrrolidin-3-yl)methyl]-4-(methoxymethyl)piperidine
CID 63979218
2-ethyl-4-[(3-ethylpyrrolidin-3-yl)methyl]morpholine
CID 63142782
1-cyclopentyl-4-[(3-propylpyrrolidin-3-yl)methyl]piperazine
CID 63142665
1-[(3-ethylpiperidin-3-yl)methyl]azocane
CID 55166633

Frequently Asked Questions

What is the IUPAC name of 1-[(3-ethylpyrrolidin-3-yl)methyl]-3-pyrrolidin-1-ylpyrrolidine?
The IUPAC name of 1-[(3-ethylpyrrolidin-3-yl)methyl]-3-pyrrolidin-1-ylpyrrolidine (CID 55224749) is 1-[(3-ethylpyrrolidin-3-yl)methyl]-3-pyrrolidin-1-ylpyrrolidine.
What is the SMILES notation for 1-[(3-ethylpyrrolidin-3-yl)methyl]-3-pyrrolidin-1-ylpyrrolidine?
The canonical SMILES for 1-[(3-ethylpyrrolidin-3-yl)methyl]-3-pyrrolidin-1-ylpyrrolidine is CCC1(CN2CCC(N3CCCC3)C2)CCNC1.
What is the InChIKey of 1-[(3-ethylpyrrolidin-3-yl)methyl]-3-pyrrolidin-1-ylpyrrolidine?
The InChIKey is SGKMQCFOJGABCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3/c1-2-15(6-7-16-12-15)13-17-10-5-14(11-17)18-8-3-4-9-18/h14,16H,2-13H2,1H3.
What are the key properties of 1-[(3-ethylpyrrolidin-3-yl)methyl]-3-pyrrolidin-1-ylpyrrolidine?
1-[(3-ethylpyrrolidin-3-yl)methyl]-3-pyrrolidin-1-ylpyrrolidine has a molecular weight of 251.42 g/mol, XLogP of 1.55, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-ethylpyrrolidin-3-yl)methyl]-3-pyrrolidin-1-ylpyrrolidine is sourced from PubChem (CID 55224749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).