2-heptylidene-1-propylpyrrolidine

C14H27N — CID 175874608

IUPAC2-heptylidene-1-propylpyrrolidine
SMILESCCCCCCC=C1CCCN1CCC
InChIInChI=1S/C14H27N/c1-3-5-6-7-8-10-14-11-9-13-15(14)12-4-2/h10H,3-9,11-13H2,1-2H3
InChIKeyQMFNRBOISQSOON-UHFFFAOYSA-N
MW209.38 g/mol
LogP4.35
Rot. Bonds7

About 2-heptylidene-1-propylpyrrolidine

2-heptylidene-1-propylpyrrolidine (PubChem CID 175874608) has the molecular formula C14H27N and a molecular weight of 209.38 g/mol. Its IUPAC name is 2-heptylidene-1-propylpyrrolidine.

Molecular Properties

Compound Name2-heptylidene-1-propylpyrrolidine
PubChem CID175874608
Molecular FormulaC14H27N
Molecular Weight209.38 g/mol
Exact Mass209.21
IUPAC Name2-heptylidene-1-propylpyrrolidine
SMILESCCCCCCC=C1CCCN1CCC
InChIInChI=1S/C14H27N/c1-3-5-6-7-8-10-14-11-9-13-15(14)12-4-2/h10H,3-9,11-13H2,1-2H3
InChIKeyQMFNRBOISQSOON-UHFFFAOYSA-N
XLogP4.35
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.38
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-butyl-2-hexylidenepyrrolidine;hydrofluoride
CID 175874540
acetic acid;1-butyl-2-undecylidenepiperidine
CID 175874613
methanesulfonic acid;1-methyl-2-octylidenepyrrolidine
CID 175874636
decylidenecyclobutane
CID 15365573
dodecylidenecyclobutane
CID 176570971
heptadecylidenecyclopropane
CID 19760704
1-dodecylpyrrolidin-2-one
CID 70222371
1-hexylpyrrolidin-2-one
CID 158904818
2-methylidene-1-nonylpyrrolidine
CID 70210485
(3Z)-1-butyl-4-methylidene-3-nonylideneazepane
CID 10565537
hexylidenecyclobutane
CID 86127710
1-[(E)-octadec-9-enyl]azepan-2-one
CID 22476676

Frequently Asked Questions

What is the IUPAC name of 2-heptylidene-1-propylpyrrolidine?
The IUPAC name of 2-heptylidene-1-propylpyrrolidine (CID 175874608) is 2-heptylidene-1-propylpyrrolidine.
What is the SMILES notation for 2-heptylidene-1-propylpyrrolidine?
The canonical SMILES for 2-heptylidene-1-propylpyrrolidine is CCCCCCC=C1CCCN1CCC.
What is the InChIKey of 2-heptylidene-1-propylpyrrolidine?
The InChIKey is QMFNRBOISQSOON-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N/c1-3-5-6-7-8-10-14-11-9-13-15(14)12-4-2/h10H,3-9,11-13H2,1-2H3.
What are the key properties of 2-heptylidene-1-propylpyrrolidine?
2-heptylidene-1-propylpyrrolidine has a molecular weight of 209.38 g/mol, XLogP of 4.35, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-heptylidene-1-propylpyrrolidine is sourced from PubChem (CID 175874608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).