N-[(Z)-octadec-9-enyl]pyrrolidin-1-amine

C22H44N2 — CID 67684211

IUPACN-[(Z)-octadec-9-enyl]pyrrolidin-1-amine
SMILESCCCCCCCC/C=C\CCCCCCCCNN1CCCC1
InChIInChI=1S/C22H44N2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-23-24-21-18-19-22-24/h9-10,23H,2-8,11-22H2,1H3/b10-9-
InChIKeyOPGZHRXOABFKTI-KTKRTIGZSA-N
MW336.61 g/mol
LogP6.62
Rot. Bonds17

About N-[(Z)-octadec-9-enyl]pyrrolidin-1-amine

N-[(Z)-octadec-9-enyl]pyrrolidin-1-amine (PubChem CID 67684211) has the molecular formula C22H44N2 and a molecular weight of 336.61 g/mol. Its IUPAC name is N-[(Z)-octadec-9-enyl]pyrrolidin-1-amine.

Molecular Properties

Compound NameN-[(Z)-octadec-9-enyl]pyrrolidin-1-amine
PubChem CID67684211
Molecular FormulaC22H44N2
Molecular Weight336.61 g/mol
Exact Mass336.35
IUPAC NameN-[(Z)-octadec-9-enyl]pyrrolidin-1-amine
SMILESCCCCCCCC/C=C\CCCCCCCCNN1CCCC1
InChIInChI=1S/C22H44N2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-23-24-21-18-19-22-24/h9-10,23H,2-8,11-22H2,1H3/b10-9-
InChIKeyOPGZHRXOABFKTI-KTKRTIGZSA-N
XLogP6.62
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.61
LogP ≤ 56.62
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 N-[(Z)-octadec-9-enyl]pyrrolidin-1-amine?
The IUPAC name of N-[(Z)-octadec-9-enyl]pyrrolidin-1-amine (CID 67684211) is N-[(Z)-octadec-9-enyl]pyrrolidin-1-amine.
What is the SMILES notation for N-[(Z)-octadec-9-enyl]pyrrolidin-1-amine?
The canonical SMILES for N-[(Z)-octadec-9-enyl]pyrrolidin-1-amine is CCCCCCCC/C=C\CCCCCCCCNN1CCCC1.
What is the InChIKey of N-[(Z)-octadec-9-enyl]pyrrolidin-1-amine?
The InChIKey is OPGZHRXOABFKTI-KTKRTIGZSA-N. The full InChI is InChI=1S/C22H44N2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-23-24-21-18-19-22-24/h9-10,23H,2-8,11-22H2,1H3/b10-9-.
What are the key properties of N-[(Z)-octadec-9-enyl]pyrrolidin-1-amine?
N-[(Z)-octadec-9-enyl]pyrrolidin-1-amine has a molecular weight of 336.61 g/mol, XLogP of 6.62, 17 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-octadec-9-enyl]pyrrolidin-1-amine is sourced from PubChem (CID 67684211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).