1-(6-butylcyclohexen-1-yl)pyrrolidine

C14H25N — CID 53440329

IUPAC1-(6-butylcyclohexen-1-yl)pyrrolidine
SMILESCCCCC1CCCC=C1N1CCCC1
InChIInChI=1S/C14H25N/c1-2-3-8-13-9-4-5-10-14(13)15-11-6-7-12-15/h10,13H,2-9,11-12H2,1H3
InChIKeyBSEMZOXHYNTVGE-UHFFFAOYSA-N
MW207.36 g/mol
LogP3.96
Rot. Bonds4

About 1-(6-butylcyclohexen-1-yl)pyrrolidine

1-(6-butylcyclohexen-1-yl)pyrrolidine (PubChem CID 53440329) has the molecular formula C14H25N and a molecular weight of 207.36 g/mol. Its IUPAC name is 1-(6-butylcyclohexen-1-yl)pyrrolidine.

Molecular Properties

Compound Name1-(6-butylcyclohexen-1-yl)pyrrolidine
PubChem CID53440329
Molecular FormulaC14H25N
Molecular Weight207.36 g/mol
Exact Mass207.20
IUPAC Name1-(6-butylcyclohexen-1-yl)pyrrolidine
SMILESCCCCC1CCCC=C1N1CCCC1
InChIInChI=1S/C14H25N/c1-2-3-8-13-9-4-5-10-14(13)15-11-6-7-12-15/h10,13H,2-9,11-12H2,1H3
InChIKeyBSEMZOXHYNTVGE-UHFFFAOYSA-N
XLogP3.96
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.36
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(6-butylcyclohexen-1-yl)pyrrolidine?
The IUPAC name of 1-(6-butylcyclohexen-1-yl)pyrrolidine (CID 53440329) is 1-(6-butylcyclohexen-1-yl)pyrrolidine.
What is the SMILES notation for 1-(6-butylcyclohexen-1-yl)pyrrolidine?
The canonical SMILES for 1-(6-butylcyclohexen-1-yl)pyrrolidine is CCCCC1CCCC=C1N1CCCC1.
What is the InChIKey of 1-(6-butylcyclohexen-1-yl)pyrrolidine?
The InChIKey is BSEMZOXHYNTVGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N/c1-2-3-8-13-9-4-5-10-14(13)15-11-6-7-12-15/h10,13H,2-9,11-12H2,1H3.
What are the key properties of 1-(6-butylcyclohexen-1-yl)pyrrolidine?
1-(6-butylcyclohexen-1-yl)pyrrolidine has a molecular weight of 207.36 g/mol, XLogP of 3.96, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-butylcyclohexen-1-yl)pyrrolidine is sourced from PubChem (CID 53440329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).