4,4-dimethyl-1-(3-pyrrolidin-2-ylpropyl)azepane

C15H30N2 — CID 65281341

IUPAC4,4-dimethyl-1-(3-pyrrolidin-2-ylpropyl)azepane
SMILESCC1(C)CCCN(CCCC2CCCN2)CC1
InChIInChI=1S/C15H30N2/c1-15(2)8-5-12-17(13-9-15)11-4-7-14-6-3-10-16-14/h14,16H,3-13H2,1-2H3
InChIKeyQXUSYFAENZFOGV-UHFFFAOYSA-N
MW238.42 g/mol
LogP3.03
Rot. Bonds4

About 4,4-dimethyl-1-(3-pyrrolidin-2-ylpropyl)azepane

4,4-dimethyl-1-(3-pyrrolidin-2-ylpropyl)azepane (PubChem CID 65281341) has the molecular formula C15H30N2 and a molecular weight of 238.42 g/mol. Its IUPAC name is 4,4-dimethyl-1-(3-pyrrolidin-2-ylpropyl)azepane.

Molecular Properties

Compound Name4,4-dimethyl-1-(3-pyrrolidin-2-ylpropyl)azepane
PubChem CID65281341
Molecular FormulaC15H30N2
Molecular Weight238.42 g/mol
Exact Mass238.24
IUPAC Name4,4-dimethyl-1-(3-pyrrolidin-2-ylpropyl)azepane
SMILESCC1(C)CCCN(CCCC2CCCN2)CC1
InChIInChI=1S/C15H30N2/c1-15(2)8-5-12-17(13-9-15)11-4-7-14-6-3-10-16-14/h14,16H,3-13H2,1-2H3
InChIKeyQXUSYFAENZFOGV-UHFFFAOYSA-N
XLogP3.03
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.42
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-pyrrolidin-2-ylpropyl)piperazine
CID 62480123
4-ethyl-4-methyl-1-(2-piperidin-2-ylethyl)piperidine
CID 55166220
1-(4-piperidin-2-ylbutyl)piperidine
CID 15057319
2-(3-piperidin-2-ylpropyl)-2-azaspiro[4.4]nonane
CID 114279332
4-ethyl-1-(3-piperidin-2-ylpropyl)piperidine
CID 62212363
4,4-dimethyl-1-pentylazepane
CID 18723213
N-[1-(3-pyrrolidin-2-ylpropyl)piperidin-4-yl]acetamide
CID 113402351
(2S,6R)-2,6-dimethyl-1-(3-pyrrolidin-2-ylpropyl)piperidine
CID 104967552
3-propoxy-1-(3-pyrrolidin-2-ylpropyl)piperidine
CID 62480120
3-(3-pyrrolidin-2-ylpropyl)-8-oxa-3-azabicyclo[3.2.1]octane
CID 66391134
3,3-dimethyl-1-(3-pyrrolidin-2-ylpropyl)pyrrolidine-2,5-dione
CID 65301913
4,4-dimethyl-1-[(4-methylpiperidin-4-yl)methyl]azepane
CID 65282639

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-1-(3-pyrrolidin-2-ylpropyl)azepane?
The IUPAC name of 4,4-dimethyl-1-(3-pyrrolidin-2-ylpropyl)azepane (CID 65281341) is 4,4-dimethyl-1-(3-pyrrolidin-2-ylpropyl)azepane.
What is the SMILES notation for 4,4-dimethyl-1-(3-pyrrolidin-2-ylpropyl)azepane?
The canonical SMILES for 4,4-dimethyl-1-(3-pyrrolidin-2-ylpropyl)azepane is CC1(C)CCCN(CCCC2CCCN2)CC1.
What is the InChIKey of 4,4-dimethyl-1-(3-pyrrolidin-2-ylpropyl)azepane?
The InChIKey is QXUSYFAENZFOGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2/c1-15(2)8-5-12-17(13-9-15)11-4-7-14-6-3-10-16-14/h14,16H,3-13H2,1-2H3.
What are the key properties of 4,4-dimethyl-1-(3-pyrrolidin-2-ylpropyl)azepane?
4,4-dimethyl-1-(3-pyrrolidin-2-ylpropyl)azepane has a molecular weight of 238.42 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-1-(3-pyrrolidin-2-ylpropyl)azepane is sourced from PubChem (CID 65281341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).