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

C18H36N2 — CID 139681165

IUPACN'-(1-hexan-2-ylcyclobutyl)-3-methylheptanimidamide
SMILESCCCCC(C)C/C(N)=N/C1(C(C)CCCC)CCC1
InChIInChI=1S/C18H36N2/c1-5-7-10-15(3)14-17(19)20-18(12-9-13-18)16(4)11-8-6-2/h15-16H,5-14H2,1-4H3,(H2,19,20)
InChIKeyICFYBBHGWOXSCN-UHFFFAOYSA-N
MW280.50 g/mol
LogP5.31
Rot. Bonds10

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

N'-(1-hexan-2-ylcyclobutyl)-3-methylheptanimidamide (PubChem CID 139681165) has the molecular formula C18H36N2 and a molecular weight of 280.50 g/mol. Its IUPAC name is N'-(1-hexan-2-ylcyclobutyl)-3-methylheptanimidamide.

Molecular Properties

Compound NameN'-(1-hexan-2-ylcyclobutyl)-3-methylheptanimidamide
PubChem CID139681165
Molecular FormulaC18H36N2
Molecular Weight280.50 g/mol
Exact Mass280.29
IUPAC NameN'-(1-hexan-2-ylcyclobutyl)-3-methylheptanimidamide
SMILESCCCCC(C)C/C(N)=N/C1(C(C)CCCC)CCC1
InChIInChI=1S/C18H36N2/c1-5-7-10-15(3)14-17(19)20-18(12-9-13-18)16(4)11-8-6-2/h15-16H,5-14H2,1-4H3,(H2,19,20)
InChIKeyICFYBBHGWOXSCN-UHFFFAOYSA-N
XLogP5.31
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500280.50
LogP ≤ 55.31
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'}

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Frequently Asked Questions

What is the IUPAC name of N'-(1-hexan-2-ylcyclobutyl)-3-methylheptanimidamide?
The IUPAC name of N'-(1-hexan-2-ylcyclobutyl)-3-methylheptanimidamide (CID 139681165) is N'-(1-hexan-2-ylcyclobutyl)-3-methylheptanimidamide.
What is the SMILES notation for N'-(1-hexan-2-ylcyclobutyl)-3-methylheptanimidamide?
The canonical SMILES for N'-(1-hexan-2-ylcyclobutyl)-3-methylheptanimidamide is CCCCC(C)C/C(N)=N/C1(C(C)CCCC)CCC1.
What is the InChIKey of N'-(1-hexan-2-ylcyclobutyl)-3-methylheptanimidamide?
The InChIKey is ICFYBBHGWOXSCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N2/c1-5-7-10-15(3)14-17(19)20-18(12-9-13-18)16(4)11-8-6-2/h15-16H,5-14H2,1-4H3,(H2,19,20).
What are the key properties of N'-(1-hexan-2-ylcyclobutyl)-3-methylheptanimidamide?
N'-(1-hexan-2-ylcyclobutyl)-3-methylheptanimidamide has a molecular weight of 280.50 g/mol, XLogP of 5.31, 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-ylcyclobutyl)-3-methylheptanimidamide is sourced from PubChem (CID 139681165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).