(2Z)-N-(3-methyl-5,6-dihydro-3H-indol-2-yl)-2-propylidenecyclohexan-1-imine;hydroiodide

C18H25IN2 — CID 142058732

IUPAC(2Z)-N-(3-methyl-5,6-dihydro-3H-indol-2-yl)-2-propylidenecyclohexan-1-imine;hydroiodide
SMILESCC/C=C1/CCCC/C1=N\C1=NC2=CCCC=C2C1C.I
InChIInChI=1S/C18H24N2.HI/c1-3-8-14-9-4-6-11-16(14)19-18-13(2)15-10-5-7-12-17(15)20-18;/h8,10,12-13H,3-7,9,11H2,1-2H3;1H/b14-8-,19-16+;
InChIKeyNRWIYMKBCDEEKC-HEYVDLJRSA-N
MW396.32 g/mol
LogP5.61
Rot. Bonds1

About (2Z)-N-(3-methyl-5,6-dihydro-3H-indol-2-yl)-2-propylidenecyclohexan-1-imine;hydroiodide

(2Z)-N-(3-methyl-5,6-dihydro-3H-indol-2-yl)-2-propylidenecyclohexan-1-imine;hydroiodide (PubChem CID 142058732) has the molecular formula C18H25IN2 and a molecular weight of 396.32 g/mol. Its IUPAC name is (2Z)-N-(3-methyl-5,6-dihydro-3H-indol-2-yl)-2-propylidenecyclohexan-1-imine;hydroiodide.

Molecular Properties

Compound Name(2Z)-N-(3-methyl-5,6-dihydro-3H-indol-2-yl)-2-propylidenecyclohexan-1-imine;hydroiodide
PubChem CID142058732
Molecular FormulaC18H25IN2
Molecular Weight396.32 g/mol
Exact Mass396.11
IUPAC Name(2Z)-N-(3-methyl-5,6-dihydro-3H-indol-2-yl)-2-propylidenecyclohexan-1-imine;hydroiodide
SMILESCC/C=C1/CCCC/C1=N\C1=NC2=CCCC=C2C1C.I
InChIInChI=1S/C18H24N2.HI/c1-3-8-14-9-4-6-11-16(14)19-18-13(2)15-10-5-7-12-17(15)20-18;/h8,10,12-13H,3-7,9,11H2,1-2H3;1H/b14-8-,19-16+;
InChIKeyNRWIYMKBCDEEKC-HEYVDLJRSA-N
XLogP5.61
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.32
LogP ≤ 55.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2Z)-N-(3-methyl-5,6-dihydro-3H-indol-2-yl)-2-propylidenecyclohexan-1-imine;hydroiodide?
The IUPAC name of (2Z)-N-(3-methyl-5,6-dihydro-3H-indol-2-yl)-2-propylidenecyclohexan-1-imine;hydroiodide (CID 142058732) is (2Z)-N-(3-methyl-5,6-dihydro-3H-indol-2-yl)-2-propylidenecyclohexan-1-imine;hydroiodide.
What is the SMILES notation for (2Z)-N-(3-methyl-5,6-dihydro-3H-indol-2-yl)-2-propylidenecyclohexan-1-imine;hydroiodide?
The canonical SMILES for (2Z)-N-(3-methyl-5,6-dihydro-3H-indol-2-yl)-2-propylidenecyclohexan-1-imine;hydroiodide is CC/C=C1/CCCC/C1=N\C1=NC2=CCCC=C2C1C.I.
What is the InChIKey of (2Z)-N-(3-methyl-5,6-dihydro-3H-indol-2-yl)-2-propylidenecyclohexan-1-imine;hydroiodide?
The InChIKey is NRWIYMKBCDEEKC-HEYVDLJRSA-N. The full InChI is InChI=1S/C18H24N2.HI/c1-3-8-14-9-4-6-11-16(14)19-18-13(2)15-10-5-7-12-17(15)20-18;/h8,10,12-13H,3-7,9,11H2,1-2H3;1H/b14-8-,19-16+;.
What are the key properties of (2Z)-N-(3-methyl-5,6-dihydro-3H-indol-2-yl)-2-propylidenecyclohexan-1-imine;hydroiodide?
(2Z)-N-(3-methyl-5,6-dihydro-3H-indol-2-yl)-2-propylidenecyclohexan-1-imine;hydroiodide has a molecular weight of 396.32 g/mol, XLogP of 5.61, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-N-(3-methyl-5,6-dihydro-3H-indol-2-yl)-2-propylidenecyclohexan-1-imine;hydroiodide is sourced from PubChem (CID 142058732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).