N-but-3-yn-2-ylidene-2-cyclohexyl-N'-methylethanimidamide

C13H20N2 — CID 145208528

IUPACN-but-3-yn-2-ylidene-2-cyclohexyl-N'-methylethanimidamide
SMILESC#C/C(C)=N/C(CC1CCCCC1)=N\C
InChIInChI=1S/C13H20N2/c1-4-11(2)15-13(14-3)10-12-8-6-5-7-9-12/h1,12H,5-10H2,2-3H3/b14-13-,15-11+
InChIKeyLERWSOOHSLTXCE-YZIFZZMGSA-N
MW204.32 g/mol
LogP3.08
Rot. Bonds2

About N-but-3-yn-2-ylidene-2-cyclohexyl-N'-methylethanimidamide

N-but-3-yn-2-ylidene-2-cyclohexyl-N'-methylethanimidamide (PubChem CID 145208528) has the molecular formula C13H20N2 and a molecular weight of 204.32 g/mol. Its IUPAC name is N-but-3-yn-2-ylidene-2-cyclohexyl-N'-methylethanimidamide.

Molecular Properties

Compound NameN-but-3-yn-2-ylidene-2-cyclohexyl-N'-methylethanimidamide
PubChem CID145208528
Molecular FormulaC13H20N2
Molecular Weight204.32 g/mol
Exact Mass204.16
IUPAC NameN-but-3-yn-2-ylidene-2-cyclohexyl-N'-methylethanimidamide
SMILESC#C/C(C)=N/C(CC1CCCCC1)=N\C
InChIInChI=1S/C13H20N2/c1-4-11(2)15-13(14-3)10-12-8-6-5-7-9-12/h1,12H,5-10H2,2-3H3/b14-13-,15-11+
InChIKeyLERWSOOHSLTXCE-YZIFZZMGSA-N
XLogP3.08
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.32
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

2-cyclohexyl-N'-methylethanimidamide
CID 130678198
1-cyclohexyl-N-methylprop-2-yn-1-imine
CID 143348323
1-cyclohexadecylpropan-2-one
CID 175123721
N-(1-cyclopentylpropan-2-ylidene)hydroxylamine
CID 131143406
2-cyclohexyl-N-ethynylacetamide
CID 69021361
N-(1-cyclohexyl-3,3,4-trimethylpent-4-en-2-ylidene)hydroxylamine
CID 155617647
1-cycloheptylhex-5-yn-2-one
CID 114972742
[(E)-4-deuterio-2,3-dimethylbut-2-enyl]cyclohexane
CID 10678664
[(E)-2-methylpent-2-enyl]cyclohexane
CID 143898911
bis(2-methylpropylcyclohexane);2-methylpropylcyclopentane
CID 159474199
3-cyclohexyl-2-oxopropanoic acid
CID 160850076
(Z)-1,5-dicyclopentyl-4-hydroxy-3-methylpent-3-en-2-one
CID 170237935

Frequently Asked Questions

What is the IUPAC name of N-but-3-yn-2-ylidene-2-cyclohexyl-N'-methylethanimidamide?
The IUPAC name of N-but-3-yn-2-ylidene-2-cyclohexyl-N'-methylethanimidamide (CID 145208528) is N-but-3-yn-2-ylidene-2-cyclohexyl-N'-methylethanimidamide.
What is the SMILES notation for N-but-3-yn-2-ylidene-2-cyclohexyl-N'-methylethanimidamide?
The canonical SMILES for N-but-3-yn-2-ylidene-2-cyclohexyl-N'-methylethanimidamide is C#C/C(C)=N/C(CC1CCCCC1)=N\C.
What is the InChIKey of N-but-3-yn-2-ylidene-2-cyclohexyl-N'-methylethanimidamide?
The InChIKey is LERWSOOHSLTXCE-YZIFZZMGSA-N. The full InChI is InChI=1S/C13H20N2/c1-4-11(2)15-13(14-3)10-12-8-6-5-7-9-12/h1,12H,5-10H2,2-3H3/b14-13-,15-11+.
What are the key properties of N-but-3-yn-2-ylidene-2-cyclohexyl-N'-methylethanimidamide?
N-but-3-yn-2-ylidene-2-cyclohexyl-N'-methylethanimidamide has a molecular weight of 204.32 g/mol, XLogP of 3.08, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-but-3-yn-2-ylidene-2-cyclohexyl-N'-methylethanimidamide is sourced from PubChem (CID 145208528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).