1-[7-(cyclohexylmethyl)-2,7-diazaspiro[4.4]nonan-2-yl]-2-[[4-fluoro-2-(2-propan-2-ylphenyl)phenyl]methyl]prop-2-en-1-imine;hydrazine;methanimine

C34H51FN6 — CID 163266489

IUPAC1-[7-(cyclohexylmethyl)-2,7-diazaspiro[4.4]nonan-2-yl]-2-[[4-fluoro-2-(2-propan-2-ylphenyl)phenyl]methyl]prop-2-en-1-imine;hydrazine;methanimine
SMILESNN.[H]/N=C(\C(=C)Cc1ccc(F)cc1-c1ccccc1C(C)C)N1CCC2(CCN(CC3CCCCC3)C2)C1.[H]N=C
InChIInChI=1S/C33H44FN3.CH3N.H4N2/c1-24(2)29-11-7-8-12-30(29)31-20-28(34)14-13-27(31)19-25(3)32(35)37-18-16-33(23-37)15-17-36(22-33)21-26-9-5-4-6-10-26;2*1-2/h7-8,11-14,20,24,26,35H,3-6,9-10,15-19,21-23H2,1-2H3;2H,1H2;1-2H2/b35-32+;;
InChIKeyOLSKIDMYBBHWOV-LFPAKOJHSA-N
MW562.82 g/mol
LogP6.75
Rot. Bonds7

About 1-[7-(cyclohexylmethyl)-2,7-diazaspiro[4.4]nonan-2-yl]-2-[[4-fluoro-2-(2-propan-2-ylphenyl)phenyl]methyl]prop-2-en-1-imine;hydrazine;methanimine

1-[7-(cyclohexylmethyl)-2,7-diazaspiro[4.4]nonan-2-yl]-2-[[4-fluoro-2-(2-propan-2-ylphenyl)phenyl]methyl]prop-2-en-1-imine;hydrazine;methanimine (PubChem CID 163266489) has the molecular formula C34H51FN6 and a molecular weight of 562.82 g/mol. Its IUPAC name is 1-[7-(cyclohexylmethyl)-2,7-diazaspiro[4.4]nonan-2-yl]-2-[[4-fluoro-2-(2-propan-2-ylphenyl)phenyl]methyl]prop-2-en-1-imine;hydrazine;methanimine.

Molecular Properties

Compound Name1-[7-(cyclohexylmethyl)-2,7-diazaspiro[4.4]nonan-2-yl]-2-[[4-fluoro-2-(2-propan-2-ylphenyl)phenyl]methyl]prop-2-en-1-imine;hydrazine;methanimine
PubChem CID163266489
Molecular FormulaC34H51FN6
Molecular Weight562.82 g/mol
Exact Mass562.42
IUPAC Name1-[7-(cyclohexylmethyl)-2,7-diazaspiro[4.4]nonan-2-yl]-2-[[4-fluoro-2-(2-propan-2-ylphenyl)phenyl]methyl]prop-2-en-1-imine;hydrazine;methanimine
SMILESNN.[H]/N=C(\C(=C)Cc1ccc(F)cc1-c1ccccc1C(C)C)N1CCC2(CCN(CC3CCCCC3)C2)C1.[H]N=C
InChIInChI=1S/C33H44FN3.CH3N.H4N2/c1-24(2)29-11-7-8-12-30(29)31-20-28(34)14-13-27(31)19-25(3)32(35)37-18-16-33(23-37)15-17-36(22-33)21-26-9-5-4-6-10-26;2*1-2/h7-8,11-14,20,24,26,35H,3-6,9-10,15-19,21-23H2,1-2H3;2H,1H2;1-2H2/b35-32+;;
InChIKeyOLSKIDMYBBHWOV-LFPAKOJHSA-N
XLogP6.75
TPSA106.22 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500562.82
LogP ≤ 56.75
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1-[7-(cyclohexylmethyl)-2,7-diazaspiro[4.4]nonan-2-yl]-2-[[4-fluoro-2-(2-propan-2-ylphenyl)phenyl]methyl]prop-2-en-1-imine;hydrazine;methanimine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[7-(cyclohexylmethyl)-2,7-diazaspiro[4.4]nonan-2-yl]-2-[[4-fluoro-2-(2-propan-2-ylphenyl)phenyl]methyl]prop-2-en-1-imine;hydrazine;methanimine?
The IUPAC name of 1-[7-(cyclohexylmethyl)-2,7-diazaspiro[4.4]nonan-2-yl]-2-[[4-fluoro-2-(2-propan-2-ylphenyl)phenyl]methyl]prop-2-en-1-imine;hydrazine;methanimine (CID 163266489) is 1-[7-(cyclohexylmethyl)-2,7-diazaspiro[4.4]nonan-2-yl]-2-[[4-fluoro-2-(2-propan-2-ylphenyl)phenyl]methyl]prop-2-en-1-imine;hydrazine;methanimine.
What is the SMILES notation for 1-[7-(cyclohexylmethyl)-2,7-diazaspiro[4.4]nonan-2-yl]-2-[[4-fluoro-2-(2-propan-2-ylphenyl)phenyl]methyl]prop-2-en-1-imine;hydrazine;methanimine?
The canonical SMILES for 1-[7-(cyclohexylmethyl)-2,7-diazaspiro[4.4]nonan-2-yl]-2-[[4-fluoro-2-(2-propan-2-ylphenyl)phenyl]methyl]prop-2-en-1-imine;hydrazine;methanimine is NN.[H]/N=C(\C(=C)Cc1ccc(F)cc1-c1ccccc1C(C)C)N1CCC2(CCN(CC3CCCCC3)C2)C1.[H]N=C.
What is the InChIKey of 1-[7-(cyclohexylmethyl)-2,7-diazaspiro[4.4]nonan-2-yl]-2-[[4-fluoro-2-(2-propan-2-ylphenyl)phenyl]methyl]prop-2-en-1-imine;hydrazine;methanimine?
The InChIKey is OLSKIDMYBBHWOV-LFPAKOJHSA-N. The full InChI is InChI=1S/C33H44FN3.CH3N.H4N2/c1-24(2)29-11-7-8-12-30(29)31-20-28(34)14-13-27(31)19-25(3)32(35)37-18-16-33(23-37)15-17-36(22-33)21-26-9-5-4-6-10-26;2*1-2/h7-8,11-14,20,24,26,35H,3-6,9-10,15-19,21-23H2,1-2H3;2H,1H2;1-2H2/b35-32+;;.
What are the key properties of 1-[7-(cyclohexylmethyl)-2,7-diazaspiro[4.4]nonan-2-yl]-2-[[4-fluoro-2-(2-propan-2-ylphenyl)phenyl]methyl]prop-2-en-1-imine;hydrazine;methanimine?
1-[7-(cyclohexylmethyl)-2,7-diazaspiro[4.4]nonan-2-yl]-2-[[4-fluoro-2-(2-propan-2-ylphenyl)phenyl]methyl]prop-2-en-1-imine;hydrazine;methanimine has a molecular weight of 562.82 g/mol, XLogP of 6.75, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[7-(cyclohexylmethyl)-2,7-diazaspiro[4.4]nonan-2-yl]-2-[[4-fluoro-2-(2-propan-2-ylphenyl)phenyl]methyl]prop-2-en-1-imine;hydrazine;methanimine is sourced from PubChem (CID 163266489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).