[2-[(Z)-9-(2-ethylcyclopropyl)non-4-en-2-yl]cyclopropyl]methanimine

C18H31N — CID 163543855

IUPAC[2-[(Z)-9-(2-ethylcyclopropyl)non-4-en-2-yl]cyclopropyl]methanimine
SMILES[H]/N=C/C1CC1C(C)C/C=C\CCCCC1CC1CC
InChIInChI=1S/C18H31N/c1-3-15-11-16(15)10-8-6-4-5-7-9-14(2)18-12-17(18)13-19/h5,7,13-19H,3-4,6,8-12H2,1-2H3/b7-5-,19-13+
InChIKeyFDIRJCFXZPXBFB-WAMVWMSQSA-N
MW261.45 g/mol
LogP5.46
Rot. Bonds10

About [2-[(Z)-9-(2-ethylcyclopropyl)non-4-en-2-yl]cyclopropyl]methanimine

[2-[(Z)-9-(2-ethylcyclopropyl)non-4-en-2-yl]cyclopropyl]methanimine (PubChem CID 163543855) has the molecular formula C18H31N and a molecular weight of 261.45 g/mol. Its IUPAC name is [2-[(Z)-9-(2-ethylcyclopropyl)non-4-en-2-yl]cyclopropyl]methanimine.

Molecular Properties

Compound Name[2-[(Z)-9-(2-ethylcyclopropyl)non-4-en-2-yl]cyclopropyl]methanimine
PubChem CID163543855
Molecular FormulaC18H31N
Molecular Weight261.45 g/mol
Exact Mass261.25
IUPAC Name[2-[(Z)-9-(2-ethylcyclopropyl)non-4-en-2-yl]cyclopropyl]methanimine
SMILES[H]/N=C/C1CC1C(C)C/C=C\CCCCC1CC1CC
InChIInChI=1S/C18H31N/c1-3-15-11-16(15)10-8-6-4-5-7-9-14(2)18-12-17(18)13-19/h5,7,13-19H,3-4,6,8-12H2,1-2H3/b7-5-,19-13+
InChIKeyFDIRJCFXZPXBFB-WAMVWMSQSA-N
XLogP5.46
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500261.45
LogP ≤ 55.46
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

[4-(4-Propylcyclohexyl)cyclohex-2-en-1-yl]methanimine
CID 90290766
2-(2-Cyclopropylcycloprop-2-en-1-yl)butan-1-imine
CID 121480682
[4-(4,8-Dimethylnona-3,7-dienyl)cyclohex-3-en-1-yl]methanimine
CID 123155194
[1,4,8-Trimethyl-6-(1-methyl-2-propylcycloprop-2-en-1-yl)-2-bicyclo[7.1.0]dec-8-enyl]methanimine
CID 123245329
2-Ethyldec-7-en-1-imine
CID 123446420
2-Hexan-3-ylhex-4-en-1-imine
CID 123865105
(3-Methyl-6-prop-1-enylcycloheptyl)methanimine
CID 123866977
2-(2,2,3-Trimethyl-3-prop-1-enylcyclopropyl)ethanimine
CID 123925681
2-[(6Z)-cyclotridec-6-en-1-yl]ethanimine
CID 134257788
Ethane;(6-ethenyl-3,4-dimethylcyclohex-3-en-1-yl)methanimine
CID 143601059
(6-Ethenyl-3,4-dimethylcyclohex-3-en-1-yl)methanimine
CID 143601060
[4-[(3E)-4,8-dimethylnona-3,7-dienyl]cyclohex-3-en-1-yl]methanimine
CID 145648590

Frequently Asked Questions

What is the IUPAC name of [2-[(Z)-9-(2-ethylcyclopropyl)non-4-en-2-yl]cyclopropyl]methanimine?
The IUPAC name of [2-[(Z)-9-(2-ethylcyclopropyl)non-4-en-2-yl]cyclopropyl]methanimine (CID 163543855) is [2-[(Z)-9-(2-ethylcyclopropyl)non-4-en-2-yl]cyclopropyl]methanimine.
What is the SMILES notation for [2-[(Z)-9-(2-ethylcyclopropyl)non-4-en-2-yl]cyclopropyl]methanimine?
The canonical SMILES for [2-[(Z)-9-(2-ethylcyclopropyl)non-4-en-2-yl]cyclopropyl]methanimine is [H]/N=C/C1CC1C(C)C/C=C\CCCCC1CC1CC.
What is the InChIKey of [2-[(Z)-9-(2-ethylcyclopropyl)non-4-en-2-yl]cyclopropyl]methanimine?
The InChIKey is FDIRJCFXZPXBFB-WAMVWMSQSA-N. The full InChI is InChI=1S/C18H31N/c1-3-15-11-16(15)10-8-6-4-5-7-9-14(2)18-12-17(18)13-19/h5,7,13-19H,3-4,6,8-12H2,1-2H3/b7-5-,19-13+.
What are the key properties of [2-[(Z)-9-(2-ethylcyclopropyl)non-4-en-2-yl]cyclopropyl]methanimine?
[2-[(Z)-9-(2-ethylcyclopropyl)non-4-en-2-yl]cyclopropyl]methanimine has a molecular weight of 261.45 g/mol, XLogP of 5.46, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(Z)-9-(2-ethylcyclopropyl)non-4-en-2-yl]cyclopropyl]methanimine is sourced from PubChem (CID 163543855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).