N-[4-(dimethylamino)cyclohexyl]-N'-methyl-2-methylidenehex-3-enimidamide

C16H29N3 — CID 123352395

IUPACN-[4-(dimethylamino)cyclohexyl]-N'-methyl-2-methylidenehex-3-enimidamide
SMILESC=C(C=CCC)/C(=N\C)NC1CCC(N(C)C)CC1
InChIInChI=1S/C16H29N3/c1-6-7-8-13(2)16(17-3)18-14-9-11-15(12-10-14)19(4)5/h7-8,14-15H,2,6,9-12H2,1,3-5H3,(H,17,18)
InChIKeyZUFXCQVAMDAGFS-UHFFFAOYSA-N
MW263.43 g/mol
LogP3.00
Rot. Bonds5

About N-[4-(dimethylamino)cyclohexyl]-N'-methyl-2-methylidenehex-3-enimidamide

N-[4-(dimethylamino)cyclohexyl]-N'-methyl-2-methylidenehex-3-enimidamide (PubChem CID 123352395) has the molecular formula C16H29N3 and a molecular weight of 263.43 g/mol. Its IUPAC name is N-[4-(dimethylamino)cyclohexyl]-N'-methyl-2-methylidenehex-3-enimidamide.

Molecular Properties

Compound NameN-[4-(dimethylamino)cyclohexyl]-N'-methyl-2-methylidenehex-3-enimidamide
PubChem CID123352395
Molecular FormulaC16H29N3
Molecular Weight263.43 g/mol
Exact Mass263.24
IUPAC NameN-[4-(dimethylamino)cyclohexyl]-N'-methyl-2-methylidenehex-3-enimidamide
SMILESC=C(C=CCC)/C(=N\C)NC1CCC(N(C)C)CC1
InChIInChI=1S/C16H29N3/c1-6-7-8-13(2)16(17-3)18-14-9-11-15(12-10-14)19(4)5/h7-8,14-15H,2,6,9-12H2,1,3-5H3,(H,17,18)
InChIKeyZUFXCQVAMDAGFS-UHFFFAOYSA-N
XLogP3.00
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 53.00
H-Bond Donors ≤ 51
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
N-(4-aminocyclohexyl)-N'-methyl-2-methylidenehex-3-enimidamide
CID 123507286
N-(4-aminocyclohexyl)-N',3-dimethyl-2-methylidenepent-3-enimidamide
CID 123545213
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
N',2-dimethyl-N-propan-2-ylcyclohexa-1,5-diene-1-carboximidamide
CID 130220199
(3Z)-N-methyl-3-prop-2-enylidenepiperidin-2-imine;propane
CID 143201854
(3Z)-N-methyl-3-[(2E)-penta-2,4-dienylidene]piperidin-2-imine
CID 144497135
N-[(Z)-hex-3-en-2-yl]-1,3-diimino-2-propan-2-yl-4,5-dihydroisoindol-5-amine
CID 164169548
(5Z)-N-ethyl-5-prop-2-enylidene-3,4-dihydro-2H-pyridin-6-amine
CID 166838357
5-ethyl-6-prop-2-enyl-2,7-dihydro-1H-1,8-naphthyridine
CID 176530268
(9aS)-N,N-diethyl-7,8,9,9a-tetrahydro-6H-pyrido[2,3-d]azepin-2-amine
CID 24959264

Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylamino)cyclohexyl]-N'-methyl-2-methylidenehex-3-enimidamide?
The IUPAC name of N-[4-(dimethylamino)cyclohexyl]-N'-methyl-2-methylidenehex-3-enimidamide (CID 123352395) is N-[4-(dimethylamino)cyclohexyl]-N'-methyl-2-methylidenehex-3-enimidamide.
What is the SMILES notation for N-[4-(dimethylamino)cyclohexyl]-N'-methyl-2-methylidenehex-3-enimidamide?
The canonical SMILES for N-[4-(dimethylamino)cyclohexyl]-N'-methyl-2-methylidenehex-3-enimidamide is C=C(C=CCC)/C(=N\C)NC1CCC(N(C)C)CC1.
What is the InChIKey of N-[4-(dimethylamino)cyclohexyl]-N'-methyl-2-methylidenehex-3-enimidamide?
The InChIKey is ZUFXCQVAMDAGFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3/c1-6-7-8-13(2)16(17-3)18-14-9-11-15(12-10-14)19(4)5/h7-8,14-15H,2,6,9-12H2,1,3-5H3,(H,17,18).
What are the key properties of N-[4-(dimethylamino)cyclohexyl]-N'-methyl-2-methylidenehex-3-enimidamide?
N-[4-(dimethylamino)cyclohexyl]-N'-methyl-2-methylidenehex-3-enimidamide has a molecular weight of 263.43 g/mol, XLogP of 3.00, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dimethylamino)cyclohexyl]-N'-methyl-2-methylidenehex-3-enimidamide is sourced from PubChem (CID 123352395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).