N-methyl-N-(2-methylbutyl)cyclohexanecarboximidamide

C13H26N2 — CID 63175585

IUPACN-methyl-N-(2-methylbutyl)cyclohexanecarboximidamide
SMILES[H]/N=C(/C1CCCCC1)N(C)CC(C)CC
InChIInChI=1S/C13H26N2/c1-4-11(2)10-15(3)13(14)12-8-6-5-7-9-12/h11-12,14H,4-10H2,1-3H3/b14-13-
InChIKeyYSWXLUVXVHUAGU-YPKPFQOOSA-N
MW210.36 g/mol
LogP3.52
Rot. Bonds4

About N-methyl-N-(2-methylbutyl)cyclohexanecarboximidamide

N-methyl-N-(2-methylbutyl)cyclohexanecarboximidamide (PubChem CID 63175585) has the molecular formula C13H26N2 and a molecular weight of 210.36 g/mol. Its IUPAC name is N-methyl-N-(2-methylbutyl)cyclohexanecarboximidamide.

Molecular Properties

Compound NameN-methyl-N-(2-methylbutyl)cyclohexanecarboximidamide
PubChem CID63175585
Molecular FormulaC13H26N2
Molecular Weight210.36 g/mol
Exact Mass210.21
IUPAC NameN-methyl-N-(2-methylbutyl)cyclohexanecarboximidamide
SMILES[H]/N=C(/C1CCCCC1)N(C)CC(C)CC
InChIInChI=1S/C13H26N2/c1-4-11(2)10-15(3)13(14)12-8-6-5-7-9-12/h11-12,14H,4-10H2,1-3H3/b14-13-
InChIKeyYSWXLUVXVHUAGU-YPKPFQOOSA-N
XLogP3.52
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.36
LogP ≤ 53.52
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-methyl-N-(2-methylbutyl)cyclohexanecarboximidamide?
The IUPAC name of N-methyl-N-(2-methylbutyl)cyclohexanecarboximidamide (CID 63175585) is N-methyl-N-(2-methylbutyl)cyclohexanecarboximidamide.
What is the SMILES notation for N-methyl-N-(2-methylbutyl)cyclohexanecarboximidamide?
The canonical SMILES for N-methyl-N-(2-methylbutyl)cyclohexanecarboximidamide is [H]/N=C(/C1CCCCC1)N(C)CC(C)CC.
What is the InChIKey of N-methyl-N-(2-methylbutyl)cyclohexanecarboximidamide?
The InChIKey is YSWXLUVXVHUAGU-YPKPFQOOSA-N. The full InChI is InChI=1S/C13H26N2/c1-4-11(2)10-15(3)13(14)12-8-6-5-7-9-12/h11-12,14H,4-10H2,1-3H3/b14-13-.
What are the key properties of N-methyl-N-(2-methylbutyl)cyclohexanecarboximidamide?
N-methyl-N-(2-methylbutyl)cyclohexanecarboximidamide has a molecular weight of 210.36 g/mol, XLogP of 3.52, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(2-methylbutyl)cyclohexanecarboximidamide is sourced from PubChem (CID 63175585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).