4-[4-(4-pentylcyclohexyl)butyl]benzenecarboximidamide

C22H36N2 — CID 18965918

IUPAC4-[4-(4-pentylcyclohexyl)butyl]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(CCCCC2CCC(CCCCC)CC2)cc1
InChIInChI=1S/C22H36N2/c1-2-3-4-7-18-10-12-19(13-11-18)8-5-6-9-20-14-16-21(17-15-20)22(23)24/h14-19H,2-13H2,1H3,(H3,23,24)
InChIKeyIMGPTFNEZDCKQT-UHFFFAOYSA-N
MW328.54 g/mol
LogP6.07
Rot. Bonds10

About 4-[4-(4-pentylcyclohexyl)butyl]benzenecarboximidamide

4-[4-(4-pentylcyclohexyl)butyl]benzenecarboximidamide (PubChem CID 18965918) has the molecular formula C22H36N2 and a molecular weight of 328.54 g/mol. Its IUPAC name is 4-[4-(4-pentylcyclohexyl)butyl]benzenecarboximidamide.

Molecular Properties

Compound Name4-[4-(4-pentylcyclohexyl)butyl]benzenecarboximidamide
PubChem CID18965918
Molecular FormulaC22H36N2
Molecular Weight328.54 g/mol
Exact Mass328.29
IUPAC Name4-[4-(4-pentylcyclohexyl)butyl]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(CCCCC2CCC(CCCCC)CC2)cc1
InChIInChI=1S/C22H36N2/c1-2-3-4-7-18-10-12-19(13-11-18)8-5-6-9-20-14-16-21(17-15-20)22(23)24/h14-19H,2-13H2,1H3,(H3,23,24)
InChIKeyIMGPTFNEZDCKQT-UHFFFAOYSA-N
XLogP6.07
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.54
LogP ≤ 56.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-decylbenzenecarboximidamide;hydrochloride
CID 18941670
1-[4-(4-pentylcyclohexyl)butyl]-4-[2-(4-pentylcyclohexyl)ethyl]benzene
CID 18965925
4-[4-(4-pentylcyclohexyl)butyl]phenol
CID 19371124
1-methyl-4-[4-(4-pentylcyclohexyl)butyl]benzene
CID 18965894
1-chloro-4-[4-(4-pentylcyclohexyl)butyl]benzene
CID 18965949
4-(hexoxymethyl)benzenecarboximidamide
CID 29003065
1-pentyl-4-[(Z)-4-(4-pentylcyclohexyl)but-2-enyl]benzene
CID 173321823
ethyl 4-[2-(4-pentylcyclohexyl)ethyl]benzoate
CID 57323154
4-[2-[4-(4-pentylcyclohexyl)cyclohexyl]ethyl]benzoic acid
CID 153328423
2-(4-butylcyclohexyl)-1-[4-(4-pentylphenyl)phenyl]ethanone
CID 70444561
(2R,3R)-2,3-dimethyl-2,3-bis[[4-[4-(4-pentylcyclohexyl)butyl]benzoyl]oxy]butanedioic acid
CID 67826026
1-heptyl-4-[3-(4-hexylcyclohexyl)propoxy]benzene
CID 57294543

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-pentylcyclohexyl)butyl]benzenecarboximidamide?
The IUPAC name of 4-[4-(4-pentylcyclohexyl)butyl]benzenecarboximidamide (CID 18965918) is 4-[4-(4-pentylcyclohexyl)butyl]benzenecarboximidamide.
What is the SMILES notation for 4-[4-(4-pentylcyclohexyl)butyl]benzenecarboximidamide?
The canonical SMILES for 4-[4-(4-pentylcyclohexyl)butyl]benzenecarboximidamide is [H]/N=C(\N)c1ccc(CCCCC2CCC(CCCCC)CC2)cc1.
What is the InChIKey of 4-[4-(4-pentylcyclohexyl)butyl]benzenecarboximidamide?
The InChIKey is IMGPTFNEZDCKQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H36N2/c1-2-3-4-7-18-10-12-19(13-11-18)8-5-6-9-20-14-16-21(17-15-20)22(23)24/h14-19H,2-13H2,1H3,(H3,23,24).
What are the key properties of 4-[4-(4-pentylcyclohexyl)butyl]benzenecarboximidamide?
4-[4-(4-pentylcyclohexyl)butyl]benzenecarboximidamide has a molecular weight of 328.54 g/mol, XLogP of 6.07, 10 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-pentylcyclohexyl)butyl]benzenecarboximidamide is sourced from PubChem (CID 18965918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).