1-[2-[(4-methylcyclohexyl)methyl]cyclopropyl]hex-5-en-1-imine

C17H29N — CID 90959682

IUPAC1-[2-[(4-methylcyclohexyl)methyl]cyclopropyl]hex-5-en-1-imine
SMILES[H]/N=C(\CCCC=C)C1CC1CC1CCC(C)CC1
InChIInChI=1S/C17H29N/c1-3-4-5-6-17(18)16-12-15(16)11-14-9-7-13(2)8-10-14/h3,13-16,18H,1,4-12H2,2H3/b18-17+
InChIKeyLWJPXCVICZQDHB-ISLYRVAYSA-N
MW247.43 g/mol
LogP5.21
Rot. Bonds7

About 1-[2-[(4-methylcyclohexyl)methyl]cyclopropyl]hex-5-en-1-imine

1-[2-[(4-methylcyclohexyl)methyl]cyclopropyl]hex-5-en-1-imine (PubChem CID 90959682) has the molecular formula C17H29N and a molecular weight of 247.43 g/mol. Its IUPAC name is 1-[2-[(4-methylcyclohexyl)methyl]cyclopropyl]hex-5-en-1-imine.

Molecular Properties

Compound Name1-[2-[(4-methylcyclohexyl)methyl]cyclopropyl]hex-5-en-1-imine
PubChem CID90959682
Molecular FormulaC17H29N
Molecular Weight247.43 g/mol
Exact Mass247.23
IUPAC Name1-[2-[(4-methylcyclohexyl)methyl]cyclopropyl]hex-5-en-1-imine
SMILES[H]/N=C(\CCCC=C)C1CC1CC1CCC(C)CC1
InChIInChI=1S/C17H29N/c1-3-4-5-6-17(18)16-12-15(16)11-14-9-7-13(2)8-10-14/h3,13-16,18H,1,4-12H2,2H3/b18-17+
InChIKeyLWJPXCVICZQDHB-ISLYRVAYSA-N
XLogP5.21
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500247.43
LogP ≤ 55.21
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

3-cyclopropyl-5-(4-ethenylcyclohexyl)-4H-pyrazole
CID 58549979
5-(2-Ethenylcyclopropyl)pent-1-en-3-imine
CID 90754586
4-(4-Ethenylcyclohexyl)cyclohexan-1-imine
CID 90894496
3-Propyloct-7-en-2-imine
CID 123397388
3-Methyldec-1-en-5-imine
CID 123614740
1-(2-Methylcyclopropyl)nonadeca-4,9-dien-1-imine
CID 123657658
2-Methylnon-8-en-3-imine
CID 123741640
2-Prop-2-enylcyclohexan-1-imine
CID 123898595
2-Pent-4-enylcyclohexan-1-imine
CID 142831917
1-(4-Prop-1-en-2-ylcyclohexyl)ethanimine
CID 143799451
3-Methyldec-9-en-2-imine
CID 157638441
1-(2-Hept-6-enylcyclopropyl)ethanimine
CID 160886692

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(4-methylcyclohexyl)methyl]cyclopropyl]hex-5-en-1-imine?
The IUPAC name of 1-[2-[(4-methylcyclohexyl)methyl]cyclopropyl]hex-5-en-1-imine (CID 90959682) is 1-[2-[(4-methylcyclohexyl)methyl]cyclopropyl]hex-5-en-1-imine.
What is the SMILES notation for 1-[2-[(4-methylcyclohexyl)methyl]cyclopropyl]hex-5-en-1-imine?
The canonical SMILES for 1-[2-[(4-methylcyclohexyl)methyl]cyclopropyl]hex-5-en-1-imine is [H]/N=C(\CCCC=C)C1CC1CC1CCC(C)CC1.
What is the InChIKey of 1-[2-[(4-methylcyclohexyl)methyl]cyclopropyl]hex-5-en-1-imine?
The InChIKey is LWJPXCVICZQDHB-ISLYRVAYSA-N. The full InChI is InChI=1S/C17H29N/c1-3-4-5-6-17(18)16-12-15(16)11-14-9-7-13(2)8-10-14/h3,13-16,18H,1,4-12H2,2H3/b18-17+.
What are the key properties of 1-[2-[(4-methylcyclohexyl)methyl]cyclopropyl]hex-5-en-1-imine?
1-[2-[(4-methylcyclohexyl)methyl]cyclopropyl]hex-5-en-1-imine has a molecular weight of 247.43 g/mol, XLogP of 5.21, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(4-methylcyclohexyl)methyl]cyclopropyl]hex-5-en-1-imine is sourced from PubChem (CID 90959682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).