N-[(6Z,9Z,12Z,15Z,18Z)-henicosa-6,9,12,15,18-pentaenyl]pyrrolidin-3-amine

C25H42N2 — CID 130374626

IUPACN-[(6Z,9Z,12Z,15Z,18Z)-henicosa-6,9,12,15,18-pentaenyl]pyrrolidin-3-amine
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCNC1CCNC1
InChIInChI=1S/C25H42N2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22-27-25-21-23-26-24-25/h3-4,6-7,9-10,12-13,15-16,25-27H,2,5,8,11,14,17-24H2,1H3/b4-3-,7-6-,10-9-,13-12-,16-15-
InChIKeyKGXQJXGAFFTAQO-JLNKQSITSA-N
MW370.63 g/mol
LogP6.25
Rot. Bonds16

About N-[(6Z,9Z,12Z,15Z,18Z)-henicosa-6,9,12,15,18-pentaenyl]pyrrolidin-3-amine

N-[(6Z,9Z,12Z,15Z,18Z)-henicosa-6,9,12,15,18-pentaenyl]pyrrolidin-3-amine (PubChem CID 130374626) has the molecular formula C25H42N2 and a molecular weight of 370.63 g/mol. Its IUPAC name is N-[(6Z,9Z,12Z,15Z,18Z)-henicosa-6,9,12,15,18-pentaenyl]pyrrolidin-3-amine.

Molecular Properties

Compound NameN-[(6Z,9Z,12Z,15Z,18Z)-henicosa-6,9,12,15,18-pentaenyl]pyrrolidin-3-amine
PubChem CID130374626
Molecular FormulaC25H42N2
Molecular Weight370.63 g/mol
Exact Mass370.33
IUPAC NameN-[(6Z,9Z,12Z,15Z,18Z)-henicosa-6,9,12,15,18-pentaenyl]pyrrolidin-3-amine
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCNC1CCNC1
InChIInChI=1S/C25H42N2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22-27-25-21-23-26-24-25/h3-4,6-7,9-10,12-13,15-16,25-27H,2,5,8,11,14,17-24H2,1H3/b4-3-,7-6-,10-9-,13-12-,16-15-
InChIKeyKGXQJXGAFFTAQO-JLNKQSITSA-N
XLogP6.25
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.63
LogP ≤ 56.25
H-Bond Donors ≤ 52
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-[(6Z,9Z,12Z,15Z,18Z)-henicosa-6,9,12,15,18-pentaenyl]pyrrolidin-3-amine?
The IUPAC name of N-[(6Z,9Z,12Z,15Z,18Z)-henicosa-6,9,12,15,18-pentaenyl]pyrrolidin-3-amine (CID 130374626) is N-[(6Z,9Z,12Z,15Z,18Z)-henicosa-6,9,12,15,18-pentaenyl]pyrrolidin-3-amine.
What is the SMILES notation for N-[(6Z,9Z,12Z,15Z,18Z)-henicosa-6,9,12,15,18-pentaenyl]pyrrolidin-3-amine?
The canonical SMILES for N-[(6Z,9Z,12Z,15Z,18Z)-henicosa-6,9,12,15,18-pentaenyl]pyrrolidin-3-amine is CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCNC1CCNC1.
What is the InChIKey of N-[(6Z,9Z,12Z,15Z,18Z)-henicosa-6,9,12,15,18-pentaenyl]pyrrolidin-3-amine?
The InChIKey is KGXQJXGAFFTAQO-JLNKQSITSA-N. The full InChI is InChI=1S/C25H42N2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22-27-25-21-23-26-24-25/h3-4,6-7,9-10,12-13,15-16,25-27H,2,5,8,11,14,17-24H2,1H3/b4-3-,7-6-,10-9-,13-12-,16-15-.
What are the key properties of N-[(6Z,9Z,12Z,15Z,18Z)-henicosa-6,9,12,15,18-pentaenyl]pyrrolidin-3-amine?
N-[(6Z,9Z,12Z,15Z,18Z)-henicosa-6,9,12,15,18-pentaenyl]pyrrolidin-3-amine has a molecular weight of 370.63 g/mol, XLogP of 6.25, 16 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6Z,9Z,12Z,15Z,18Z)-henicosa-6,9,12,15,18-pentaenyl]pyrrolidin-3-amine is sourced from PubChem (CID 130374626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).