N-[(2Z)-1-cyclohexyl-3-ethylpenta-2,4-dien-2-yl]propan-2-imine

C16H27N — CID 139479774

IUPACN-[(2Z)-1-cyclohexyl-3-ethylpenta-2,4-dien-2-yl]propan-2-imine
SMILESC=C/C(CC)=C(/CC1CCCCC1)N=C(C)C
InChIInChI=1S/C16H27N/c1-5-15(6-2)16(17-13(3)4)12-14-10-8-7-9-11-14/h5,14H,1,6-12H2,2-4H3/b16-15+
InChIKeyTXJOTERXZVSCRJ-FOCLMDBBSA-N
MW233.40 g/mol
LogP5.29
Rot. Bonds5

About N-[(2Z)-1-cyclohexyl-3-ethylpenta-2,4-dien-2-yl]propan-2-imine

N-[(2Z)-1-cyclohexyl-3-ethylpenta-2,4-dien-2-yl]propan-2-imine (PubChem CID 139479774) has the molecular formula C16H27N and a molecular weight of 233.40 g/mol. Its IUPAC name is N-[(2Z)-1-cyclohexyl-3-ethylpenta-2,4-dien-2-yl]propan-2-imine.

Molecular Properties

Compound NameN-[(2Z)-1-cyclohexyl-3-ethylpenta-2,4-dien-2-yl]propan-2-imine
PubChem CID139479774
Molecular FormulaC16H27N
Molecular Weight233.40 g/mol
Exact Mass233.21
IUPAC NameN-[(2Z)-1-cyclohexyl-3-ethylpenta-2,4-dien-2-yl]propan-2-imine
SMILESC=C/C(CC)=C(/CC1CCCCC1)N=C(C)C
InChIInChI=1S/C16H27N/c1-5-15(6-2)16(17-13(3)4)12-14-10-8-7-9-11-14/h5,14H,1,6-12H2,2-4H3/b16-15+
InChIKeyTXJOTERXZVSCRJ-FOCLMDBBSA-N
XLogP5.29
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500233.40
LogP ≤ 55.29
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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Frequently Asked Questions

What is the IUPAC name of N-[(2Z)-1-cyclohexyl-3-ethylpenta-2,4-dien-2-yl]propan-2-imine?
The IUPAC name of N-[(2Z)-1-cyclohexyl-3-ethylpenta-2,4-dien-2-yl]propan-2-imine (CID 139479774) is N-[(2Z)-1-cyclohexyl-3-ethylpenta-2,4-dien-2-yl]propan-2-imine.
What is the SMILES notation for N-[(2Z)-1-cyclohexyl-3-ethylpenta-2,4-dien-2-yl]propan-2-imine?
The canonical SMILES for N-[(2Z)-1-cyclohexyl-3-ethylpenta-2,4-dien-2-yl]propan-2-imine is C=C/C(CC)=C(/CC1CCCCC1)N=C(C)C.
What is the InChIKey of N-[(2Z)-1-cyclohexyl-3-ethylpenta-2,4-dien-2-yl]propan-2-imine?
The InChIKey is TXJOTERXZVSCRJ-FOCLMDBBSA-N. The full InChI is InChI=1S/C16H27N/c1-5-15(6-2)16(17-13(3)4)12-14-10-8-7-9-11-14/h5,14H,1,6-12H2,2-4H3/b16-15+.
What are the key properties of N-[(2Z)-1-cyclohexyl-3-ethylpenta-2,4-dien-2-yl]propan-2-imine?
N-[(2Z)-1-cyclohexyl-3-ethylpenta-2,4-dien-2-yl]propan-2-imine has a molecular weight of 233.40 g/mol, XLogP of 5.29, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2Z)-1-cyclohexyl-3-ethylpenta-2,4-dien-2-yl]propan-2-imine is sourced from PubChem (CID 139479774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).