4-(4-chlorophenyl)-5-pyrrolidin-1-ylhept-1-en-4-amine

C17H25ClN2 — CID 43830783

IUPAC4-(4-chlorophenyl)-5-pyrrolidin-1-ylhept-1-en-4-amine
SMILESC=CCC(N)(c1ccc(Cl)cc1)C(CC)N1CCCC1
InChIInChI=1S/C17H25ClN2/c1-3-11-17(19,14-7-9-15(18)10-8-14)16(4-2)20-12-5-6-13-20/h3,7-10,16H,1,4-6,11-13,19H2,2H3
InChIKeyFEIPTPRQEWWHBA-UHFFFAOYSA-N
MW292.85 g/mol
LogP3.94
Rot. Bonds6

About 4-(4-chlorophenyl)-5-pyrrolidin-1-ylhept-1-en-4-amine

4-(4-chlorophenyl)-5-pyrrolidin-1-ylhept-1-en-4-amine (PubChem CID 43830783) has the molecular formula C17H25ClN2 and a molecular weight of 292.85 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-5-pyrrolidin-1-ylhept-1-en-4-amine.

Molecular Properties

Compound Name4-(4-chlorophenyl)-5-pyrrolidin-1-ylhept-1-en-4-amine
PubChem CID43830783
Molecular FormulaC17H25ClN2
Molecular Weight292.85 g/mol
Exact Mass292.17
IUPAC Name4-(4-chlorophenyl)-5-pyrrolidin-1-ylhept-1-en-4-amine
SMILESC=CCC(N)(c1ccc(Cl)cc1)C(CC)N1CCCC1
InChIInChI=1S/C17H25ClN2/c1-3-11-17(19,14-7-9-15(18)10-8-14)16(4-2)20-12-5-6-13-20/h3,7-10,16H,1,4-6,11-13,19H2,2H3
InChIKeyFEIPTPRQEWWHBA-UHFFFAOYSA-N
XLogP3.94
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.85
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-5-pyrrolidin-1-ylhept-1-en-4-amine?
The IUPAC name of 4-(4-chlorophenyl)-5-pyrrolidin-1-ylhept-1-en-4-amine (CID 43830783) is 4-(4-chlorophenyl)-5-pyrrolidin-1-ylhept-1-en-4-amine.
What is the SMILES notation for 4-(4-chlorophenyl)-5-pyrrolidin-1-ylhept-1-en-4-amine?
The canonical SMILES for 4-(4-chlorophenyl)-5-pyrrolidin-1-ylhept-1-en-4-amine is C=CCC(N)(c1ccc(Cl)cc1)C(CC)N1CCCC1.
What is the InChIKey of 4-(4-chlorophenyl)-5-pyrrolidin-1-ylhept-1-en-4-amine?
The InChIKey is FEIPTPRQEWWHBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25ClN2/c1-3-11-17(19,14-7-9-15(18)10-8-14)16(4-2)20-12-5-6-13-20/h3,7-10,16H,1,4-6,11-13,19H2,2H3.
What are the key properties of 4-(4-chlorophenyl)-5-pyrrolidin-1-ylhept-1-en-4-amine?
4-(4-chlorophenyl)-5-pyrrolidin-1-ylhept-1-en-4-amine has a molecular weight of 292.85 g/mol, XLogP of 3.94, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-5-pyrrolidin-1-ylhept-1-en-4-amine is sourced from PubChem (CID 43830783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).