3,4-dimethylcyclohexane-1-carboximidamide

C9H18N2 — CID 64740369

IUPAC3,4-dimethylcyclohexane-1-carboximidamide
SMILES[H]/N=C(\N)C1CCC(C)C(C)C1
InChIInChI=1S/C9H18N2/c1-6-3-4-8(9(10)11)5-7(6)2/h6-8H,3-5H2,1-2H3,(H3,10,11)
InChIKeyQUKWBHGSCDTGBO-UHFFFAOYSA-N
MW154.26 g/mol
LogP1.99
Rot. Bonds1

About 3,4-dimethylcyclohexane-1-carboximidamide

3,4-dimethylcyclohexane-1-carboximidamide (PubChem CID 64740369) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is 3,4-dimethylcyclohexane-1-carboximidamide.

Molecular Properties

Compound Name3,4-dimethylcyclohexane-1-carboximidamide
PubChem CID64740369
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC Name3,4-dimethylcyclohexane-1-carboximidamide
SMILES[H]/N=C(\N)C1CCC(C)C(C)C1
InChIInChI=1S/C9H18N2/c1-6-3-4-8(9(10)11)5-7(6)2/h6-8H,3-5H2,1-2H3,(H3,10,11)
InChIKeyQUKWBHGSCDTGBO-UHFFFAOYSA-N
XLogP1.99
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 51.99
H-Bond Donors ≤ 52
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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Related Compounds

1-(3,4-dimethylcyclohexyl)piperidine-4-carboximidamide
CID 64737969
2-methylcyclopropane-1-carboximidamide;hydrochloride
CID 55289632
4-tert-butylcyclohexane-1-carboximidamide
CID 20592811
2-amino-1-(3,4-dimethylcyclohexyl)ethanone
CID 116548380
(3-aminocyclopentyl)-(3,4-dimethylcyclohexyl)methanone
CID 116587119
3-fluorocyclobutane-1-carboximidamide
CID 83853924
3-methoxycyclobutane-1-carboximidamide;hydrochloride
CID 105432531
cyclopentyl-(3,4-dimethylcyclohexyl)methanone
CID 64739226
thiane-4-carboximidamide
CID 83677490
3-amino-1-(3,4-dimethylcyclohexyl)-2-methylbutan-1-one
CID 116612177
3-[(3,4-dimethylcyclohexyl)-methylamino]butanimidamide
CID 64740957
1-(3,4-dimethylcyclohexyl)-2,2,2-trifluoroethanone
CID 64738824

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethylcyclohexane-1-carboximidamide?
The IUPAC name of 3,4-dimethylcyclohexane-1-carboximidamide (CID 64740369) is 3,4-dimethylcyclohexane-1-carboximidamide.
What is the SMILES notation for 3,4-dimethylcyclohexane-1-carboximidamide?
The canonical SMILES for 3,4-dimethylcyclohexane-1-carboximidamide is [H]/N=C(\N)C1CCC(C)C(C)C1.
What is the InChIKey of 3,4-dimethylcyclohexane-1-carboximidamide?
The InChIKey is QUKWBHGSCDTGBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2/c1-6-3-4-8(9(10)11)5-7(6)2/h6-8H,3-5H2,1-2H3,(H3,10,11).
What are the key properties of 3,4-dimethylcyclohexane-1-carboximidamide?
3,4-dimethylcyclohexane-1-carboximidamide has a molecular weight of 154.26 g/mol, XLogP of 1.99, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethylcyclohexane-1-carboximidamide is sourced from PubChem (CID 64740369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).