1-[2-(2-cyclopentylpyrrolidin-1-yl)ethyl]-1,4-diazepane

C16H31N3 — CID 62832964

IUPAC1-[2-(2-cyclopentylpyrrolidin-1-yl)ethyl]-1,4-diazepane
SMILESC1CCC(C2CCCN2CCN2CCCNCC2)C1
InChIInChI=1S/C16H31N3/c1-2-6-15(5-1)16-7-3-11-19(16)14-13-18-10-4-8-17-9-12-18/h15-17H,1-14H2
InChIKeyZKXCCYKEPHRWAJ-UHFFFAOYSA-N
MW265.44 g/mol
LogP1.94
Rot. Bonds4

About 1-[2-(2-cyclopentylpyrrolidin-1-yl)ethyl]-1,4-diazepane

1-[2-(2-cyclopentylpyrrolidin-1-yl)ethyl]-1,4-diazepane (PubChem CID 62832964) has the molecular formula C16H31N3 and a molecular weight of 265.44 g/mol. Its IUPAC name is 1-[2-(2-cyclopentylpyrrolidin-1-yl)ethyl]-1,4-diazepane.

Molecular Properties

Compound Name1-[2-(2-cyclopentylpyrrolidin-1-yl)ethyl]-1,4-diazepane
PubChem CID62832964
Molecular FormulaC16H31N3
Molecular Weight265.44 g/mol
Exact Mass265.25
IUPAC Name1-[2-(2-cyclopentylpyrrolidin-1-yl)ethyl]-1,4-diazepane
SMILESC1CCC(C2CCCN2CCN2CCCNCC2)C1
InChIInChI=1S/C16H31N3/c1-2-6-15(5-1)16-7-3-11-19(16)14-13-18-10-4-8-17-9-12-18/h15-17H,1-14H2
InChIKeyZKXCCYKEPHRWAJ-UHFFFAOYSA-N
XLogP1.94
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.44
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)ethyl]piperidin-4-amine
CID 79328437
1-(2-pyrrolidin-1-ylethyl)-1,4-diazepane
CID 2772404
1-(2-piperidin-4-yloxyethyl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline
CID 55251141
4-[3-(2-cyclopentylpyrrolidin-1-yl)propoxy]piperidine
CID 63903227
4-[2-[(3aS,7aS)-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]ethyl]morpholine
CID 128917741
1-(2-piperazin-1-ylethyl)azocane
CID 60851971
2-methyl-1-(2-piperidin-1-ylethyl)-1,4-diazepane
CID 82242419
(2S)-2-[(3R)-piperidin-3-yl]-1-propylpiperidine
CID 95241605
2-[4-[2-(1,4-diazepan-1-yl)ethyl]piperazin-1-yl]-N,N-dimethylethanamine
CID 62887962
1-(2-methoxyethyl)-2-piperidin-4-ylazepane
CID 64851835
1-[2-[3-(methoxymethyl)piperidin-1-yl]ethyl]-1,4-diazepane
CID 106587374
2-(1,4-diazepan-1-yl)ethanol
CID 2736550

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-cyclopentylpyrrolidin-1-yl)ethyl]-1,4-diazepane?
The IUPAC name of 1-[2-(2-cyclopentylpyrrolidin-1-yl)ethyl]-1,4-diazepane (CID 62832964) is 1-[2-(2-cyclopentylpyrrolidin-1-yl)ethyl]-1,4-diazepane.
What is the SMILES notation for 1-[2-(2-cyclopentylpyrrolidin-1-yl)ethyl]-1,4-diazepane?
The canonical SMILES for 1-[2-(2-cyclopentylpyrrolidin-1-yl)ethyl]-1,4-diazepane is C1CCC(C2CCCN2CCN2CCCNCC2)C1.
What is the InChIKey of 1-[2-(2-cyclopentylpyrrolidin-1-yl)ethyl]-1,4-diazepane?
The InChIKey is ZKXCCYKEPHRWAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3/c1-2-6-15(5-1)16-7-3-11-19(16)14-13-18-10-4-8-17-9-12-18/h15-17H,1-14H2.
What are the key properties of 1-[2-(2-cyclopentylpyrrolidin-1-yl)ethyl]-1,4-diazepane?
1-[2-(2-cyclopentylpyrrolidin-1-yl)ethyl]-1,4-diazepane has a molecular weight of 265.44 g/mol, XLogP of 1.94, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-cyclopentylpyrrolidin-1-yl)ethyl]-1,4-diazepane is sourced from PubChem (CID 62832964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).