N'-(1-hexan-2-ylcyclohexyl)-3-methylheptanimidamide

C20H40N2 — CID 139681169

IUPACN'-(1-hexan-2-ylcyclohexyl)-3-methylheptanimidamide
SMILESCCCCC(C)C/C(N)=N/C1(C(C)CCCC)CCCCC1
InChIInChI=1S/C20H40N2/c1-5-7-12-17(3)16-19(21)22-20(14-10-9-11-15-20)18(4)13-8-6-2/h17-18H,5-16H2,1-4H3,(H2,21,22)
InChIKeyOFXINTYSQSRNCH-UHFFFAOYSA-N
MW308.55 g/mol
LogP6.09
Rot. Bonds10

About N'-(1-hexan-2-ylcyclohexyl)-3-methylheptanimidamide

N'-(1-hexan-2-ylcyclohexyl)-3-methylheptanimidamide (PubChem CID 139681169) has the molecular formula C20H40N2 and a molecular weight of 308.55 g/mol. Its IUPAC name is N'-(1-hexan-2-ylcyclohexyl)-3-methylheptanimidamide.

Molecular Properties

Compound NameN'-(1-hexan-2-ylcyclohexyl)-3-methylheptanimidamide
PubChem CID139681169
Molecular FormulaC20H40N2
Molecular Weight308.55 g/mol
Exact Mass308.32
IUPAC NameN'-(1-hexan-2-ylcyclohexyl)-3-methylheptanimidamide
SMILESCCCCC(C)C/C(N)=N/C1(C(C)CCCC)CCCCC1
InChIInChI=1S/C20H40N2/c1-5-7-12-17(3)16-19(21)22-20(14-10-9-11-15-20)18(4)13-8-6-2/h17-18H,5-16H2,1-4H3,(H2,21,22)
InChIKeyOFXINTYSQSRNCH-UHFFFAOYSA-N
XLogP6.09
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.55
LogP ≤ 56.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N'-(1-hexan-2-ylcyclohexyl)-3-methylheptanimidamide 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 N'-(1-hexan-2-ylcyclohexyl)-3-methylheptanimidamide?
The IUPAC name of N'-(1-hexan-2-ylcyclohexyl)-3-methylheptanimidamide (CID 139681169) is N'-(1-hexan-2-ylcyclohexyl)-3-methylheptanimidamide.
What is the SMILES notation for N'-(1-hexan-2-ylcyclohexyl)-3-methylheptanimidamide?
The canonical SMILES for N'-(1-hexan-2-ylcyclohexyl)-3-methylheptanimidamide is CCCCC(C)C/C(N)=N/C1(C(C)CCCC)CCCCC1.
What is the InChIKey of N'-(1-hexan-2-ylcyclohexyl)-3-methylheptanimidamide?
The InChIKey is OFXINTYSQSRNCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H40N2/c1-5-7-12-17(3)16-19(21)22-20(14-10-9-11-15-20)18(4)13-8-6-2/h17-18H,5-16H2,1-4H3,(H2,21,22).
What are the key properties of N'-(1-hexan-2-ylcyclohexyl)-3-methylheptanimidamide?
N'-(1-hexan-2-ylcyclohexyl)-3-methylheptanimidamide has a molecular weight of 308.55 g/mol, XLogP of 6.09, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1-hexan-2-ylcyclohexyl)-3-methylheptanimidamide is sourced from PubChem (CID 139681169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).