N-(4-aminocyclohexyl)-N'-methyl-2-methylidenehex-3-enimidamide

C14H25N3 — CID 123507286

IUPACN-(4-aminocyclohexyl)-N'-methyl-2-methylidenehex-3-enimidamide
SMILESC=C(C=CCC)/C(=N\C)NC1CCC(N)CC1
InChIInChI=1S/C14H25N3/c1-4-5-6-11(2)14(16-3)17-13-9-7-12(15)8-10-13/h5-6,12-13H,2,4,7-10,15H2,1,3H3,(H,16,17)
InChIKeyUAOTYLFGAJPWJV-UHFFFAOYSA-N
MW235.37 g/mol
LogP2.40
Rot. Bonds4

About N-(4-aminocyclohexyl)-N'-methyl-2-methylidenehex-3-enimidamide

N-(4-aminocyclohexyl)-N'-methyl-2-methylidenehex-3-enimidamide (PubChem CID 123507286) has the molecular formula C14H25N3 and a molecular weight of 235.37 g/mol. Its IUPAC name is N-(4-aminocyclohexyl)-N'-methyl-2-methylidenehex-3-enimidamide.

Molecular Properties

Compound NameN-(4-aminocyclohexyl)-N'-methyl-2-methylidenehex-3-enimidamide
PubChem CID123507286
Molecular FormulaC14H25N3
Molecular Weight235.37 g/mol
Exact Mass235.20
IUPAC NameN-(4-aminocyclohexyl)-N'-methyl-2-methylidenehex-3-enimidamide
SMILESC=C(C=CCC)/C(=N\C)NC1CCC(N)CC1
InChIInChI=1S/C14H25N3/c1-4-5-6-11(2)14(16-3)17-13-9-7-12(15)8-10-13/h5-6,12-13H,2,4,7-10,15H2,1,3H3,(H,16,17)
InChIKeyUAOTYLFGAJPWJV-UHFFFAOYSA-N
XLogP2.40
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-cyclohexyl-N',3-dimethyl-2-methylidenebut-3-enimidamide
CID 88596857
2-[(5Z,7Z)-2-[(3Z)-penta-1,3-dien-2-yl]-4,9-dihydro-1H-1,3-diazonin-5-yl]prop-2-en-1-amine
CID 118186576
N-[4-(dimethylamino)cyclohexyl]-N'-methyl-2-methylidenehex-3-enimidamide
CID 123352395
N-(4-aminocyclohexyl)-N',3-dimethyl-2-methylidenepent-3-enimidamide
CID 123545213
2,4-Dimethyl-1,2,6,7-tetrahydro-1,8-naphthyridine
CID 123586881
N'-butyl-6-methyl-N-propan-2-ylcyclohexa-1,3-diene-1-carboximidamide
CID 124013843
N-[4-(dimethylamino)cyclohexyl]-N'-methyl-2-methylidenepent-3-enimidamide
CID 124035932
3-but-1-en-2-yl-N-propan-2-yl-5,6-dihydro-2H-azepin-7-amine
CID 129082407
N',2-dimethyl-N-propan-2-ylcyclohexa-1,5-diene-1-carboximidamide
CID 130220199
5-ethenyl-N-methyl-2,3-dihydro-1H-pyridin-6-imine
CID 136489670
(3Z)-N-methyl-3-prop-2-enylidenepiperidin-2-imine;propane
CID 143201854
(3Z)-N-methyl-3-prop-2-enylidenepiperidin-2-imine
CID 143201855

Frequently Asked Questions

What is the IUPAC name of N-(4-aminocyclohexyl)-N'-methyl-2-methylidenehex-3-enimidamide?
The IUPAC name of N-(4-aminocyclohexyl)-N'-methyl-2-methylidenehex-3-enimidamide (CID 123507286) is N-(4-aminocyclohexyl)-N'-methyl-2-methylidenehex-3-enimidamide.
What is the SMILES notation for N-(4-aminocyclohexyl)-N'-methyl-2-methylidenehex-3-enimidamide?
The canonical SMILES for N-(4-aminocyclohexyl)-N'-methyl-2-methylidenehex-3-enimidamide is C=C(C=CCC)/C(=N\C)NC1CCC(N)CC1.
What is the InChIKey of N-(4-aminocyclohexyl)-N'-methyl-2-methylidenehex-3-enimidamide?
The InChIKey is UAOTYLFGAJPWJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3/c1-4-5-6-11(2)14(16-3)17-13-9-7-12(15)8-10-13/h5-6,12-13H,2,4,7-10,15H2,1,3H3,(H,16,17).
What are the key properties of N-(4-aminocyclohexyl)-N'-methyl-2-methylidenehex-3-enimidamide?
N-(4-aminocyclohexyl)-N'-methyl-2-methylidenehex-3-enimidamide has a molecular weight of 235.37 g/mol, XLogP of 2.40, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminocyclohexyl)-N'-methyl-2-methylidenehex-3-enimidamide is sourced from PubChem (CID 123507286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).