4-(cyclohexylmethoxy)-5-cyclopropyl-2-imino-N-methyl-N-sulfanylpyridine-1-carboximidamide;ethane;prop-1-ene

C24H44N4OS — CID 144721552

IUPAC4-(cyclohexylmethoxy)-5-cyclopropyl-2-imino-N-methyl-N-sulfanylpyridine-1-carboximidamide;ethane;prop-1-ene
SMILESC=CC.CC.CC.[H]/N=C(\N(C)S)n1cc(C2CC2)c(OCC2CCCCC2)c/c1=N\[H]
InChIInChI=1S/C17H26N4OS.C3H6.2C2H6/c1-20(23)17(19)21-10-14(13-7-8-13)15(9-16(21)18)22-11-12-5-3-2-4-6-12;1-3-2;2*1-2/h9-10,12-13,18-19,23H,2-8,11H2,1H3;3H,1H2,2H3;2*1-2H3/b18-16+,19-17+;;;
InChIKeyKOAVOALSPSEFIM-ACCFFOGNSA-N
MW436.71 g/mol
LogP6.61
Rot. Bonds4

About 4-(cyclohexylmethoxy)-5-cyclopropyl-2-imino-N-methyl-N-sulfanylpyridine-1-carboximidamide;ethane;prop-1-ene

4-(cyclohexylmethoxy)-5-cyclopropyl-2-imino-N-methyl-N-sulfanylpyridine-1-carboximidamide;ethane;prop-1-ene (PubChem CID 144721552) has the molecular formula C24H44N4OS and a molecular weight of 436.71 g/mol. Its IUPAC name is 4-(cyclohexylmethoxy)-5-cyclopropyl-2-imino-N-methyl-N-sulfanylpyridine-1-carboximidamide;ethane;prop-1-ene.

Molecular Properties

Compound Name4-(cyclohexylmethoxy)-5-cyclopropyl-2-imino-N-methyl-N-sulfanylpyridine-1-carboximidamide;ethane;prop-1-ene
PubChem CID144721552
Molecular FormulaC24H44N4OS
Molecular Weight436.71 g/mol
Exact Mass436.32
IUPAC Name4-(cyclohexylmethoxy)-5-cyclopropyl-2-imino-N-methyl-N-sulfanylpyridine-1-carboximidamide;ethane;prop-1-ene
SMILESC=CC.CC.CC.[H]/N=C(\N(C)S)n1cc(C2CC2)c(OCC2CCCCC2)c/c1=N\[H]
InChIInChI=1S/C17H26N4OS.C3H6.2C2H6/c1-20(23)17(19)21-10-14(13-7-8-13)15(9-16(21)18)22-11-12-5-3-2-4-6-12;1-3-2;2*1-2/h9-10,12-13,18-19,23H,2-8,11H2,1H3;3H,1H2,2H3;2*1-2H3/b18-16+,19-17+;;;
InChIKeyKOAVOALSPSEFIM-ACCFFOGNSA-N
XLogP6.61
TPSA65.10 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.71
LogP ≤ 56.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze 4-(cyclohexylmethoxy)-5-cyclopropyl-2-imino-N-methyl-N-sulfanylpyridine-1-carboximidamide;ethane;prop-1-ene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(cyclohexylmethoxy)-5-cyclopropyl-2-imino-N-methyl-N-sulfanylpyridine-1-carboximidamide;ethane;prop-1-ene?
The IUPAC name of 4-(cyclohexylmethoxy)-5-cyclopropyl-2-imino-N-methyl-N-sulfanylpyridine-1-carboximidamide;ethane;prop-1-ene (CID 144721552) is 4-(cyclohexylmethoxy)-5-cyclopropyl-2-imino-N-methyl-N-sulfanylpyridine-1-carboximidamide;ethane;prop-1-ene.
What is the SMILES notation for 4-(cyclohexylmethoxy)-5-cyclopropyl-2-imino-N-methyl-N-sulfanylpyridine-1-carboximidamide;ethane;prop-1-ene?
The canonical SMILES for 4-(cyclohexylmethoxy)-5-cyclopropyl-2-imino-N-methyl-N-sulfanylpyridine-1-carboximidamide;ethane;prop-1-ene is C=CC.CC.CC.[H]/N=C(\N(C)S)n1cc(C2CC2)c(OCC2CCCCC2)c/c1=N\[H].
What is the InChIKey of 4-(cyclohexylmethoxy)-5-cyclopropyl-2-imino-N-methyl-N-sulfanylpyridine-1-carboximidamide;ethane;prop-1-ene?
The InChIKey is KOAVOALSPSEFIM-ACCFFOGNSA-N. The full InChI is InChI=1S/C17H26N4OS.C3H6.2C2H6/c1-20(23)17(19)21-10-14(13-7-8-13)15(9-16(21)18)22-11-12-5-3-2-4-6-12;1-3-2;2*1-2/h9-10,12-13,18-19,23H,2-8,11H2,1H3;3H,1H2,2H3;2*1-2H3/b18-16+,19-17+;;;.
What are the key properties of 4-(cyclohexylmethoxy)-5-cyclopropyl-2-imino-N-methyl-N-sulfanylpyridine-1-carboximidamide;ethane;prop-1-ene?
4-(cyclohexylmethoxy)-5-cyclopropyl-2-imino-N-methyl-N-sulfanylpyridine-1-carboximidamide;ethane;prop-1-ene has a molecular weight of 436.71 g/mol, XLogP of 6.61, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclohexylmethoxy)-5-cyclopropyl-2-imino-N-methyl-N-sulfanylpyridine-1-carboximidamide;ethane;prop-1-ene is sourced from PubChem (CID 144721552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).