1-propyl-4-(2-pyrrolidin-2-ylpyrrolidin-1-yl)azepane

C17H33N3 — CID 65078027

IUPAC1-propyl-4-(2-pyrrolidin-2-ylpyrrolidin-1-yl)azepane
SMILESCCCN1CCCC(N2CCCC2C2CCCN2)CC1
InChIInChI=1S/C17H33N3/c1-2-11-19-12-4-6-15(9-14-19)20-13-5-8-17(20)16-7-3-10-18-16/h15-18H,2-14H2,1H3
InChIKeyRFONXRDUVFCYKE-UHFFFAOYSA-N
MW279.47 g/mol
LogP2.47
Rot. Bonds4

About 1-propyl-4-(2-pyrrolidin-2-ylpyrrolidin-1-yl)azepane

1-propyl-4-(2-pyrrolidin-2-ylpyrrolidin-1-yl)azepane (PubChem CID 65078027) has the molecular formula C17H33N3 and a molecular weight of 279.47 g/mol. Its IUPAC name is 1-propyl-4-(2-pyrrolidin-2-ylpyrrolidin-1-yl)azepane.

Molecular Properties

Compound Name1-propyl-4-(2-pyrrolidin-2-ylpyrrolidin-1-yl)azepane
PubChem CID65078027
Molecular FormulaC17H33N3
Molecular Weight279.47 g/mol
Exact Mass279.27
IUPAC Name1-propyl-4-(2-pyrrolidin-2-ylpyrrolidin-1-yl)azepane
SMILESCCCN1CCCC(N2CCCC2C2CCCN2)CC1
InChIInChI=1S/C17H33N3/c1-2-11-19-12-4-6-15(9-14-19)20-13-5-8-17(20)16-7-3-10-18-16/h15-18H,2-14H2,1H3
InChIKeyRFONXRDUVFCYKE-UHFFFAOYSA-N
XLogP2.47
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.47
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-propyl-4-(2-pyrrolidin-2-ylpyrrolidin-1-yl)piperidine
CID 62273006
1-cyclobutyl-2-pyrrolidin-2-ylpiperidine
CID 63935777
1-(4-ethylcycloheptyl)-2-pyrrolidin-2-ylpiperidine
CID 65085970
2-pyrrolidin-2-yl-1-(thian-4-yl)pyrrolidine
CID 62274739
1-(4-tert-butylcyclohexyl)-2-pyrrolidin-2-ylpyrrolidine
CID 62275570
(4aS,7aS)-4-cyclopentyl-1,2,3,4a,5,6,7,7a-octahydrocyclopenta[b]pyrazine
CID 124676086
1-(3-propan-2-ylcyclohexyl)-2-pyrrolidin-2-ylpyrrolidine
CID 107449492
4-cyclopropyl-1,2,3,4a,5,6,7,7a-octahydrocyclopenta[b]pyrazine
CID 102571366
(4aS,8aR)-5-methyl-2,3,4,4a,6,7,8,8a-octahydro-1H-1,5-naphthyridine
CID 54339853
1-(2,4-dimethylcyclohexyl)-2-pyrrolidin-2-ylpyrrolidine
CID 64756807
1-(2-ethylcyclohexyl)-2-pyrrolidin-2-ylpiperidine
CID 63863432
2-pyrrolidin-2-yl-1-spiro[4.5]decan-8-ylpiperidine
CID 114818840

Frequently Asked Questions

What is the IUPAC name of 1-propyl-4-(2-pyrrolidin-2-ylpyrrolidin-1-yl)azepane?
The IUPAC name of 1-propyl-4-(2-pyrrolidin-2-ylpyrrolidin-1-yl)azepane (CID 65078027) is 1-propyl-4-(2-pyrrolidin-2-ylpyrrolidin-1-yl)azepane.
What is the SMILES notation for 1-propyl-4-(2-pyrrolidin-2-ylpyrrolidin-1-yl)azepane?
The canonical SMILES for 1-propyl-4-(2-pyrrolidin-2-ylpyrrolidin-1-yl)azepane is CCCN1CCCC(N2CCCC2C2CCCN2)CC1.
What is the InChIKey of 1-propyl-4-(2-pyrrolidin-2-ylpyrrolidin-1-yl)azepane?
The InChIKey is RFONXRDUVFCYKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3/c1-2-11-19-12-4-6-15(9-14-19)20-13-5-8-17(20)16-7-3-10-18-16/h15-18H,2-14H2,1H3.
What are the key properties of 1-propyl-4-(2-pyrrolidin-2-ylpyrrolidin-1-yl)azepane?
1-propyl-4-(2-pyrrolidin-2-ylpyrrolidin-1-yl)azepane has a molecular weight of 279.47 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propyl-4-(2-pyrrolidin-2-ylpyrrolidin-1-yl)azepane is sourced from PubChem (CID 65078027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).