3,4-dimethylnonadec-4-en-2-imine

C21H41N — CID 90701374

IUPAC3,4-dimethylnonadec-4-en-2-imine
SMILES[H]/N=C(\C)C(C)C(C)=CCCCCCCCCCCCCCC
InChIInChI=1S/C21H41N/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(2)20(3)21(4)22/h18,20,22H,5-17H2,1-4H3/b19-18?,22-21+
InChIKeyZVYMZKVMJUDYEU-OIEMDWLISA-N
MW307.57 g/mol
LogP7.70
Rot. Bonds15

About 3,4-dimethylnonadec-4-en-2-imine

3,4-dimethylnonadec-4-en-2-imine (PubChem CID 90701374) has the molecular formula C21H41N and a molecular weight of 307.57 g/mol. Its IUPAC name is 3,4-dimethylnonadec-4-en-2-imine.

Molecular Properties

Compound Name3,4-dimethylnonadec-4-en-2-imine
PubChem CID90701374
Molecular FormulaC21H41N
Molecular Weight307.57 g/mol
Exact Mass307.32
IUPAC Name3,4-dimethylnonadec-4-en-2-imine
SMILES[H]/N=C(\C)C(C)C(C)=CCCCCCCCCCCCCCC
InChIInChI=1S/C21H41N/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(2)20(3)21(4)22/h18,20,22H,5-17H2,1-4H3/b19-18?,22-21+
InChIKeyZVYMZKVMJUDYEU-OIEMDWLISA-N
XLogP7.70
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500307.57
LogP ≤ 57.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

6,10,15,19,23-Pentamethyltetracosa-6,10,14,18,22-pentaen-2-imine
CID 53649182
9-Fluoro-5,7-dimethyldodeca-7,9-dien-4-imine
CID 123799788
(E)-6-fluoro-3-(2-methylpropyl)-5-propylnon-6-en-2-imine
CID 163433107
3,5-Dimethylcyclohex-2-en-1-imine
CID 12562472
2,30-Dimethylhentriaconta-2,29-diene-6,26-diimine
CID 58149349
(5E,9E,13E)-6,10,14,18-tetramethylnonadeca-5,9,13,17-tetraen-2-imine
CID 88555340
4-(2-Ethylbut-1-enyl)cyclohexan-1-imine
CID 89040033
4-[(Z)-but-2-enyl]cyclohexan-1-imine
CID 89040034
(2S)-1-cyclohex-3-en-1-yl-2-methylbutan-1-imine
CID 89058429
(11Z,14Z)-icosa-11,14-dien-2-imine
CID 89077215
4-(2-Methyl-5-prop-1-en-2-ylcyclopenten-1-yl)butan-2-imine
CID 89084617
(E)-5-ethyl-6-methylundec-6-en-4-imine
CID 89117109

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethylnonadec-4-en-2-imine?
The IUPAC name of 3,4-dimethylnonadec-4-en-2-imine (CID 90701374) is 3,4-dimethylnonadec-4-en-2-imine.
What is the SMILES notation for 3,4-dimethylnonadec-4-en-2-imine?
The canonical SMILES for 3,4-dimethylnonadec-4-en-2-imine is [H]/N=C(\C)C(C)C(C)=CCCCCCCCCCCCCCC.
What is the InChIKey of 3,4-dimethylnonadec-4-en-2-imine?
The InChIKey is ZVYMZKVMJUDYEU-OIEMDWLISA-N. The full InChI is InChI=1S/C21H41N/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(2)20(3)21(4)22/h18,20,22H,5-17H2,1-4H3/b19-18?,22-21+.
What are the key properties of 3,4-dimethylnonadec-4-en-2-imine?
3,4-dimethylnonadec-4-en-2-imine has a molecular weight of 307.57 g/mol, XLogP of 7.70, 15 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethylnonadec-4-en-2-imine is sourced from PubChem (CID 90701374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).