N'-hexan-3-ylcyclohexanecarboximidamide

C13H26N2 — CID 63176891

IUPACN'-hexan-3-ylcyclohexanecarboximidamide
SMILESCCCC(CC)/N=C(\N)C1CCCCC1
InChIInChI=1S/C13H26N2/c1-3-8-12(4-2)15-13(14)11-9-6-5-7-10-11/h11-12H,3-10H2,1-2H3,(H2,14,15)
InChIKeyXTLVNYMHNFDEBK-UHFFFAOYSA-N
MW210.36 g/mol
LogP3.50
Rot. Bonds5

About N'-hexan-3-ylcyclohexanecarboximidamide

N'-hexan-3-ylcyclohexanecarboximidamide (PubChem CID 63176891) has the molecular formula C13H26N2 and a molecular weight of 210.36 g/mol. Its IUPAC name is N'-hexan-3-ylcyclohexanecarboximidamide.

Molecular Properties

Compound NameN'-hexan-3-ylcyclohexanecarboximidamide
PubChem CID63176891
Molecular FormulaC13H26N2
Molecular Weight210.36 g/mol
Exact Mass210.21
IUPAC NameN'-hexan-3-ylcyclohexanecarboximidamide
SMILESCCCC(CC)/N=C(\N)C1CCCCC1
InChIInChI=1S/C13H26N2/c1-3-8-12(4-2)15-13(14)11-9-6-5-7-10-11/h11-12H,3-10H2,1-2H3,(H2,14,15)
InChIKeyXTLVNYMHNFDEBK-UHFFFAOYSA-N
XLogP3.50
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.36
LogP ≤ 53.50
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'-hexan-3-ylcyclohexanecarboximidamide?
The IUPAC name of N'-hexan-3-ylcyclohexanecarboximidamide (CID 63176891) is N'-hexan-3-ylcyclohexanecarboximidamide.
What is the SMILES notation for N'-hexan-3-ylcyclohexanecarboximidamide?
The canonical SMILES for N'-hexan-3-ylcyclohexanecarboximidamide is CCCC(CC)/N=C(\N)C1CCCCC1.
What is the InChIKey of N'-hexan-3-ylcyclohexanecarboximidamide?
The InChIKey is XTLVNYMHNFDEBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2/c1-3-8-12(4-2)15-13(14)11-9-6-5-7-10-11/h11-12H,3-10H2,1-2H3,(H2,14,15).
What are the key properties of N'-hexan-3-ylcyclohexanecarboximidamide?
N'-hexan-3-ylcyclohexanecarboximidamide has a molecular weight of 210.36 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hexan-3-ylcyclohexanecarboximidamide is sourced from PubChem (CID 63176891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).