N'-[(2-methylcyclohexyl)methyl]butanimidamide

C12H24N2 — CID 63176610

IUPACN'-[(2-methylcyclohexyl)methyl]butanimidamide
SMILESCCC/C(N)=N\CC1CCCCC1C
InChIInChI=1S/C12H24N2/c1-3-6-12(13)14-9-11-8-5-4-7-10(11)2/h10-11H,3-9H2,1-2H3,(H2,13,14)
InChIKeyZVGVEPBKECVLLA-UHFFFAOYSA-N
MW196.34 g/mol
LogP2.97
Rot. Bonds4

About N'-[(2-methylcyclohexyl)methyl]butanimidamide

N'-[(2-methylcyclohexyl)methyl]butanimidamide (PubChem CID 63176610) has the molecular formula C12H24N2 and a molecular weight of 196.34 g/mol. Its IUPAC name is N'-[(2-methylcyclohexyl)methyl]butanimidamide.

Molecular Properties

Compound NameN'-[(2-methylcyclohexyl)methyl]butanimidamide
PubChem CID63176610
Molecular FormulaC12H24N2
Molecular Weight196.34 g/mol
Exact Mass196.19
IUPAC NameN'-[(2-methylcyclohexyl)methyl]butanimidamide
SMILESCCC/C(N)=N\CC1CCCCC1C
InChIInChI=1S/C12H24N2/c1-3-6-12(13)14-9-11-8-5-4-7-10(11)2/h10-11H,3-9H2,1-2H3,(H2,13,14)
InChIKeyZVGVEPBKECVLLA-UHFFFAOYSA-N
XLogP2.97
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.34
LogP ≤ 52.97
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'-[(2-methylcyclohexyl)methyl]cyclohexanecarboximidamide
CID 63176723
N'-[(1,1-dioxothiolan-2-yl)methyl]butanimidamide
CID 81047055
1-butan-2-yl-2-[(2-methylcyclohexyl)methyl]guanidine
CID 110920662
1-(diaminomethylidene)-2-[(2-methylcyclopentyl)methyl]guanidine
CID 107419018
1-hydroxy-2-[(2-methylcyclopentyl)methyl]guanidine
CID 107420682
1-butan-2-yl-2-[(2-methylcyclohexyl)methyl]guanidine;hydroiodide
CID 110920661
1-cyclohexyl-2-[(2-methylcyclohexyl)methyl]guanidine;hydroiodide
CID 110912554
cis-(1S,2S)-1-ethyl-2-methylcyclohexane
CID 23620237
1-cyclopropyl-3-ethyl-2-[(2-methylcyclohexyl)methyl]guanidine;hydroiodide
CID 110987907
(2-methylcyclodecyl)methanamine
CID 163635360
ethane;trans-(1S,2R)-1-ethyl-2-methylcyclohexane
CID 143479638
(1S)-1-butyl-2-methylcyclohexane
CID 145054487

Frequently Asked Questions

What is the IUPAC name of N'-[(2-methylcyclohexyl)methyl]butanimidamide?
The IUPAC name of N'-[(2-methylcyclohexyl)methyl]butanimidamide (CID 63176610) is N'-[(2-methylcyclohexyl)methyl]butanimidamide.
What is the SMILES notation for N'-[(2-methylcyclohexyl)methyl]butanimidamide?
The canonical SMILES for N'-[(2-methylcyclohexyl)methyl]butanimidamide is CCC/C(N)=N\CC1CCCCC1C.
What is the InChIKey of N'-[(2-methylcyclohexyl)methyl]butanimidamide?
The InChIKey is ZVGVEPBKECVLLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2/c1-3-6-12(13)14-9-11-8-5-4-7-10(11)2/h10-11H,3-9H2,1-2H3,(H2,13,14).
What are the key properties of N'-[(2-methylcyclohexyl)methyl]butanimidamide?
N'-[(2-methylcyclohexyl)methyl]butanimidamide has a molecular weight of 196.34 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2-methylcyclohexyl)methyl]butanimidamide is sourced from PubChem (CID 63176610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).