N-(2-butan-2-ylcyclohexyl)-N-cyclohexyl-N'-hexan-2-ylmethanimidamide

C23H44N2 — CID 123921304

IUPACN-(2-butan-2-ylcyclohexyl)-N-cyclohexyl-N'-hexan-2-ylmethanimidamide
SMILESCCCCC(C)/N=C/N(C1CCCCC1)C1CCCCC1C(C)CC
InChIInChI=1S/C23H44N2/c1-5-7-13-20(4)24-18-25(21-14-9-8-10-15-21)23-17-12-11-16-22(23)19(3)6-2/h18-23H,5-17H2,1-4H3/b24-18+
InChIKeyFXZUNYDAYXCYFW-HKOYGPOVSA-N
MW348.62 g/mol
LogP6.83
Rot. Bonds9

About N-(2-butan-2-ylcyclohexyl)-N-cyclohexyl-N'-hexan-2-ylmethanimidamide

N-(2-butan-2-ylcyclohexyl)-N-cyclohexyl-N'-hexan-2-ylmethanimidamide (PubChem CID 123921304) has the molecular formula C23H44N2 and a molecular weight of 348.62 g/mol. Its IUPAC name is N-(2-butan-2-ylcyclohexyl)-N-cyclohexyl-N'-hexan-2-ylmethanimidamide.

Molecular Properties

Compound NameN-(2-butan-2-ylcyclohexyl)-N-cyclohexyl-N'-hexan-2-ylmethanimidamide
PubChem CID123921304
Molecular FormulaC23H44N2
Molecular Weight348.62 g/mol
Exact Mass348.35
IUPAC NameN-(2-butan-2-ylcyclohexyl)-N-cyclohexyl-N'-hexan-2-ylmethanimidamide
SMILESCCCCC(C)/N=C/N(C1CCCCC1)C1CCCCC1C(C)CC
InChIInChI=1S/C23H44N2/c1-5-7-13-20(4)24-18-25(21-14-9-8-10-15-21)23-17-12-11-16-22(23)19(3)6-2/h18-23H,5-17H2,1-4H3/b24-18+
InChIKeyFXZUNYDAYXCYFW-HKOYGPOVSA-N
XLogP6.83
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.62
LogP ≤ 56.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-butan-2-ylcyclohexyl)-N-cyclohexyl-N'-hexan-2-ylmethanimidamide?
The IUPAC name of N-(2-butan-2-ylcyclohexyl)-N-cyclohexyl-N'-hexan-2-ylmethanimidamide (CID 123921304) is N-(2-butan-2-ylcyclohexyl)-N-cyclohexyl-N'-hexan-2-ylmethanimidamide.
What is the SMILES notation for N-(2-butan-2-ylcyclohexyl)-N-cyclohexyl-N'-hexan-2-ylmethanimidamide?
The canonical SMILES for N-(2-butan-2-ylcyclohexyl)-N-cyclohexyl-N'-hexan-2-ylmethanimidamide is CCCCC(C)/N=C/N(C1CCCCC1)C1CCCCC1C(C)CC.
What is the InChIKey of N-(2-butan-2-ylcyclohexyl)-N-cyclohexyl-N'-hexan-2-ylmethanimidamide?
The InChIKey is FXZUNYDAYXCYFW-HKOYGPOVSA-N. The full InChI is InChI=1S/C23H44N2/c1-5-7-13-20(4)24-18-25(21-14-9-8-10-15-21)23-17-12-11-16-22(23)19(3)6-2/h18-23H,5-17H2,1-4H3/b24-18+.
What are the key properties of N-(2-butan-2-ylcyclohexyl)-N-cyclohexyl-N'-hexan-2-ylmethanimidamide?
N-(2-butan-2-ylcyclohexyl)-N-cyclohexyl-N'-hexan-2-ylmethanimidamide has a molecular weight of 348.62 g/mol, XLogP of 6.83, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-butan-2-ylcyclohexyl)-N-cyclohexyl-N'-hexan-2-ylmethanimidamide is sourced from PubChem (CID 123921304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).