1-(1-hept-6-enylpyrrolidin-2-yl)-N-methylmethanamine

C13H26N2 — CID 107008070

IUPAC1-(1-hept-6-enylpyrrolidin-2-yl)-N-methylmethanamine
SMILESC=CCCCCCN1CCCC1CNC
InChIInChI=1S/C13H26N2/c1-3-4-5-6-7-10-15-11-8-9-13(15)12-14-2/h3,13-14H,1,4-12H2,2H3
InChIKeyPLFUGAVFTHOPGU-UHFFFAOYSA-N
MW210.36 g/mol
LogP2.42
Rot. Bonds8

About 1-(1-hept-6-enylpyrrolidin-2-yl)-N-methylmethanamine

1-(1-hept-6-enylpyrrolidin-2-yl)-N-methylmethanamine (PubChem CID 107008070) has the molecular formula C13H26N2 and a molecular weight of 210.36 g/mol. Its IUPAC name is 1-(1-hept-6-enylpyrrolidin-2-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(1-hept-6-enylpyrrolidin-2-yl)-N-methylmethanamine
PubChem CID107008070
Molecular FormulaC13H26N2
Molecular Weight210.36 g/mol
Exact Mass210.21
IUPAC Name1-(1-hept-6-enylpyrrolidin-2-yl)-N-methylmethanamine
SMILESC=CCCCCCN1CCCC1CNC
InChIInChI=1S/C13H26N2/c1-3-4-5-6-7-10-15-11-8-9-13(15)12-14-2/h3,13-14H,1,4-12H2,2H3
InChIKeyPLFUGAVFTHOPGU-UHFFFAOYSA-N
XLogP2.42
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.36
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(1-hept-6-enylpyrrolidin-2-yl)-N-methylmethanamine?
The IUPAC name of 1-(1-hept-6-enylpyrrolidin-2-yl)-N-methylmethanamine (CID 107008070) is 1-(1-hept-6-enylpyrrolidin-2-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(1-hept-6-enylpyrrolidin-2-yl)-N-methylmethanamine?
The canonical SMILES for 1-(1-hept-6-enylpyrrolidin-2-yl)-N-methylmethanamine is C=CCCCCCN1CCCC1CNC.
What is the InChIKey of 1-(1-hept-6-enylpyrrolidin-2-yl)-N-methylmethanamine?
The InChIKey is PLFUGAVFTHOPGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2/c1-3-4-5-6-7-10-15-11-8-9-13(15)12-14-2/h3,13-14H,1,4-12H2,2H3.
What are the key properties of 1-(1-hept-6-enylpyrrolidin-2-yl)-N-methylmethanamine?
1-(1-hept-6-enylpyrrolidin-2-yl)-N-methylmethanamine has a molecular weight of 210.36 g/mol, XLogP of 2.42, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-hept-6-enylpyrrolidin-2-yl)-N-methylmethanamine is sourced from PubChem (CID 107008070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).