25-iminopentacosa-20,22-dien-1-amine

C25H48N2 — CID 90888003

IUPAC25-iminopentacosa-20,22-dien-1-amine
SMILES[H]/N=C/CC=CC=CCCCCCCCCCCCCCCCCCCCN
InChIInChI=1S/C25H48N2/c26-24-22-20-18-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-17-19-21-23-25-27/h14,16,18,20,24,26H,1-13,15,17,19,21-23,25,27H2/b16-14?,20-18?,26-24+
InChIKeyYGVYVCILMPAVJT-VBCPSPPYSA-N
MW376.67 g/mol
LogP8.12
Rot. Bonds22

About 25-iminopentacosa-20,22-dien-1-amine

25-iminopentacosa-20,22-dien-1-amine (PubChem CID 90888003) has the molecular formula C25H48N2 and a molecular weight of 376.67 g/mol. Its IUPAC name is 25-iminopentacosa-20,22-dien-1-amine.

Molecular Properties

Compound Name25-iminopentacosa-20,22-dien-1-amine
PubChem CID90888003
Molecular FormulaC25H48N2
Molecular Weight376.67 g/mol
Exact Mass376.38
IUPAC Name25-iminopentacosa-20,22-dien-1-amine
SMILES[H]/N=C/CC=CC=CCCCCCCCCCCCCCCCCCCCN
InChIInChI=1S/C25H48N2/c26-24-22-20-18-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-17-19-21-23-25-27/h14,16,18,20,24,26H,1-13,15,17,19,21-23,25,27H2/b16-14?,20-18?,26-24+
InChIKeyYGVYVCILMPAVJT-VBCPSPPYSA-N
XLogP8.12
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds22
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.67
LogP ≤ 58.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

Octadeca-3,5-dien-1-imine
CID 54364726
(Z)-N-(3-iminopropyl)octadec-9-en-1-amine
CID 88294319
Icosa-3,5-dien-1-imine
CID 91446903
(4Z)-4-(2-iminoethyl)hepta-4,6-dien-1-amine
CID 123670318
Octadeca-13,15,17-trien-1-amine
CID 124140318
(E)-10-iminodec-7-en-1-amine
CID 170151343
Octadeca-15,17-dien-1-amine
CID 176024185
6-(Undec-10-enylideneamino)hexan-1-amine
CID 177942003
(9Z,11E)-9-(methyliminomethyl)tetradeca-9,11-dien-1-amine
CID 172240218

Frequently Asked Questions

What is the IUPAC name of 25-iminopentacosa-20,22-dien-1-amine?
The IUPAC name of 25-iminopentacosa-20,22-dien-1-amine (CID 90888003) is 25-iminopentacosa-20,22-dien-1-amine.
What is the SMILES notation for 25-iminopentacosa-20,22-dien-1-amine?
The canonical SMILES for 25-iminopentacosa-20,22-dien-1-amine is [H]/N=C/CC=CC=CCCCCCCCCCCCCCCCCCCCN.
What is the InChIKey of 25-iminopentacosa-20,22-dien-1-amine?
The InChIKey is YGVYVCILMPAVJT-VBCPSPPYSA-N. The full InChI is InChI=1S/C25H48N2/c26-24-22-20-18-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-17-19-21-23-25-27/h14,16,18,20,24,26H,1-13,15,17,19,21-23,25,27H2/b16-14?,20-18?,26-24+.
What are the key properties of 25-iminopentacosa-20,22-dien-1-amine?
25-iminopentacosa-20,22-dien-1-amine has a molecular weight of 376.67 g/mol, XLogP of 8.12, 22 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 25-iminopentacosa-20,22-dien-1-amine is sourced from PubChem (CID 90888003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).