N'-methyl-4-propan-2-ylcyclohexane-1-carboximidamide

C11H22N2 — CID 65401999

IUPACN'-methyl-4-propan-2-ylcyclohexane-1-carboximidamide
SMILESC/N=C(\N)C1CCC(C(C)C)CC1
InChIInChI=1S/C11H22N2/c1-8(2)9-4-6-10(7-5-9)11(12)13-3/h8-10H,4-7H2,1-3H3,(H2,12,13)
InChIKeyQWVIDFTXVSYGHR-UHFFFAOYSA-N
MW182.31 g/mol
LogP2.44
Rot. Bonds2

About N'-methyl-4-propan-2-ylcyclohexane-1-carboximidamide

N'-methyl-4-propan-2-ylcyclohexane-1-carboximidamide (PubChem CID 65401999) has the molecular formula C11H22N2 and a molecular weight of 182.31 g/mol. Its IUPAC name is N'-methyl-4-propan-2-ylcyclohexane-1-carboximidamide.

Molecular Properties

Compound NameN'-methyl-4-propan-2-ylcyclohexane-1-carboximidamide
PubChem CID65401999
Molecular FormulaC11H22N2
Molecular Weight182.31 g/mol
Exact Mass182.18
IUPAC NameN'-methyl-4-propan-2-ylcyclohexane-1-carboximidamide
SMILESC/N=C(\N)C1CCC(C(C)C)CC1
InChIInChI=1S/C11H22N2/c1-8(2)9-4-6-10(7-5-9)11(12)13-3/h8-10H,4-7H2,1-3H3,(H2,12,13)
InChIKeyQWVIDFTXVSYGHR-UHFFFAOYSA-N
XLogP2.44
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 52.44
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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Related Compounds

N',3-dimethylcyclopentane-1-carboximidamide
CID 65413036
carbamic acid;1-methyl-4-propan-2-ylcyclohexane
CID 67059714
N'-(3-methylbutan-2-yl)cyclopropanecarboximidamide
CID 63174451
propan-2-ylcyclopropane;hydroiodide
CID 162314014
N'-(1-propan-2-ylcyclopropyl)cyclopropanecarboximidamide
CID 130834824
ethane;1-(4-propan-2-ylcyclohexyl)ethanone
CID 144871245
N'-[1-(2H-tetrazol-5-yl)ethyl]cyclopropanecarboximidamide
CID 63176470
N'-(3-methyl-2-propan-2-ylbutyl)cyclopropanecarboximidamide
CID 102908263
4-propan-2-ylcyclohexan-1-ol
CID 159817143
methane;1-methyl-4-propan-2-ylcyclohexane
CID 178082994
N'-hydroxycyclopropanecarboximidamide;hydrochloride
CID 53395019
N'-(1-cyclohexylethyl)cyclohexanecarboximidamide
CID 63178475

Frequently Asked Questions

What is the IUPAC name of N'-methyl-4-propan-2-ylcyclohexane-1-carboximidamide?
The IUPAC name of N'-methyl-4-propan-2-ylcyclohexane-1-carboximidamide (CID 65401999) is N'-methyl-4-propan-2-ylcyclohexane-1-carboximidamide.
What is the SMILES notation for N'-methyl-4-propan-2-ylcyclohexane-1-carboximidamide?
The canonical SMILES for N'-methyl-4-propan-2-ylcyclohexane-1-carboximidamide is C/N=C(\N)C1CCC(C(C)C)CC1.
What is the InChIKey of N'-methyl-4-propan-2-ylcyclohexane-1-carboximidamide?
The InChIKey is QWVIDFTXVSYGHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2/c1-8(2)9-4-6-10(7-5-9)11(12)13-3/h8-10H,4-7H2,1-3H3,(H2,12,13).
What are the key properties of N'-methyl-4-propan-2-ylcyclohexane-1-carboximidamide?
N'-methyl-4-propan-2-ylcyclohexane-1-carboximidamide has a molecular weight of 182.31 g/mol, XLogP of 2.44, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-4-propan-2-ylcyclohexane-1-carboximidamide is sourced from PubChem (CID 65401999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).