N-[4-[(2E)-2-methylpenta-2,4-dienyl]cyclohexen-1-yl]propan-1-imine

C15H23N — CID 163730918

IUPACN-[4-[(2E)-2-methylpenta-2,4-dienyl]cyclohexen-1-yl]propan-1-imine
SMILESC=C/C=C(\C)CC1CC=C(/N=C/CC)CC1
InChIInChI=1S/C15H23N/c1-4-6-13(3)12-14-7-9-15(10-8-14)16-11-5-2/h4,6,9,11,14H,1,5,7-8,10,12H2,2-3H3/b13-6+,16-11+
InChIKeyKZLODKLBBRHYPO-XJGLVQECSA-N
MW217.36 g/mol
LogP4.67
Rot. Bonds5

About N-[4-[(2E)-2-methylpenta-2,4-dienyl]cyclohexen-1-yl]propan-1-imine

N-[4-[(2E)-2-methylpenta-2,4-dienyl]cyclohexen-1-yl]propan-1-imine (PubChem CID 163730918) has the molecular formula C15H23N and a molecular weight of 217.36 g/mol. Its IUPAC name is N-[4-[(2E)-2-methylpenta-2,4-dienyl]cyclohexen-1-yl]propan-1-imine.

Molecular Properties

Compound NameN-[4-[(2E)-2-methylpenta-2,4-dienyl]cyclohexen-1-yl]propan-1-imine
PubChem CID163730918
Molecular FormulaC15H23N
Molecular Weight217.36 g/mol
Exact Mass217.18
IUPAC NameN-[4-[(2E)-2-methylpenta-2,4-dienyl]cyclohexen-1-yl]propan-1-imine
SMILESC=C/C=C(\C)CC1CC=C(/N=C/CC)CC1
InChIInChI=1S/C15H23N/c1-4-6-13(3)12-14-7-9-15(10-8-14)16-11-5-2/h4,6,9,11,14H,1,5,7-8,10,12H2,2-3H3/b13-6+,16-11+
InChIKeyKZLODKLBBRHYPO-XJGLVQECSA-N
XLogP4.67
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.36
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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5-[(3-methylcyclohex-2-en-1-yl)methyl]-3H-pyrrole
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Frequently Asked Questions

What is the IUPAC name of N-[4-[(2E)-2-methylpenta-2,4-dienyl]cyclohexen-1-yl]propan-1-imine?
The IUPAC name of N-[4-[(2E)-2-methylpenta-2,4-dienyl]cyclohexen-1-yl]propan-1-imine (CID 163730918) is N-[4-[(2E)-2-methylpenta-2,4-dienyl]cyclohexen-1-yl]propan-1-imine.
What is the SMILES notation for N-[4-[(2E)-2-methylpenta-2,4-dienyl]cyclohexen-1-yl]propan-1-imine?
The canonical SMILES for N-[4-[(2E)-2-methylpenta-2,4-dienyl]cyclohexen-1-yl]propan-1-imine is C=C/C=C(\C)CC1CC=C(/N=C/CC)CC1.
What is the InChIKey of N-[4-[(2E)-2-methylpenta-2,4-dienyl]cyclohexen-1-yl]propan-1-imine?
The InChIKey is KZLODKLBBRHYPO-XJGLVQECSA-N. The full InChI is InChI=1S/C15H23N/c1-4-6-13(3)12-14-7-9-15(10-8-14)16-11-5-2/h4,6,9,11,14H,1,5,7-8,10,12H2,2-3H3/b13-6+,16-11+.
What are the key properties of N-[4-[(2E)-2-methylpenta-2,4-dienyl]cyclohexen-1-yl]propan-1-imine?
N-[4-[(2E)-2-methylpenta-2,4-dienyl]cyclohexen-1-yl]propan-1-imine has a molecular weight of 217.36 g/mol, XLogP of 4.67, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2E)-2-methylpenta-2,4-dienyl]cyclohexen-1-yl]propan-1-imine is sourced from PubChem (CID 163730918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).