N',1-dimethyl-N-prop-2-enylidenepiperidine-4-carboximidamide;ethane

C13H25N3 — CID 169104155

IUPACN',1-dimethyl-N-prop-2-enylidenepiperidine-4-carboximidamide;ethane
SMILESC=C/C=N/C(=N\C)C1CCN(C)CC1.CC
InChIInChI=1S/C11H19N3.C2H6/c1-4-7-13-11(12-2)10-5-8-14(3)9-6-10;1-2/h4,7,10H,1,5-6,8-9H2,2-3H3;1-2H3/b12-11-,13-7+;
InChIKeyVJQYJLCDAHJRKB-IIFAYELBSA-N
MW223.36 g/mol
LogP2.64
Rot. Bonds2

About N',1-dimethyl-N-prop-2-enylidenepiperidine-4-carboximidamide;ethane

N',1-dimethyl-N-prop-2-enylidenepiperidine-4-carboximidamide;ethane (PubChem CID 169104155) has the molecular formula C13H25N3 and a molecular weight of 223.36 g/mol. Its IUPAC name is N',1-dimethyl-N-prop-2-enylidenepiperidine-4-carboximidamide;ethane.

Molecular Properties

Compound NameN',1-dimethyl-N-prop-2-enylidenepiperidine-4-carboximidamide;ethane
PubChem CID169104155
Molecular FormulaC13H25N3
Molecular Weight223.36 g/mol
Exact Mass223.20
IUPAC NameN',1-dimethyl-N-prop-2-enylidenepiperidine-4-carboximidamide;ethane
SMILESC=C/C=N/C(=N\C)C1CCN(C)CC1.CC
InChIInChI=1S/C11H19N3.C2H6/c1-4-7-13-11(12-2)10-5-8-14(3)9-6-10;1-2/h4,7,10H,1,5-6,8-9H2,2-3H3;1-2H3/b12-11-,13-7+;
InChIKeyVJQYJLCDAHJRKB-IIFAYELBSA-N
XLogP2.64
TPSA27.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

ethane;N-ethylidene-1-methyl-N'-[(Z)-prop-1-enyl]piperidine-4-carboximidamide
CID 141911179
(NZ)-N',4-dimethyl-N-prop-2-enylidenepiperidine-1-carboximidamide;ethane
CID 169104149
(NZ)-N',4-dimethyl-N-prop-2-enylidenepiperidine-1-carboximidamide
CID 169104150
1-methylpiperidine;N'-methyl-N-prop-2-enylideneethanimidamide
CID 169104163
4-methylpiperidin-1-amine;N'-methyl-N-prop-2-enylideneethanimidamide
CID 169104172
4-methylpiperidine;N'-methyl-N-prop-2-enylideneethanimidamide
CID 169104198
N-ethylidene-1-methyl-N'-[(Z)-prop-1-enyl]piperidine-4-carboximidamide
CID 141911180
N',1-dimethyl-N-prop-2-enylidenepiperidine-4-carboximidamide
CID 169104156

Frequently Asked Questions

What is the IUPAC name of N',1-dimethyl-N-prop-2-enylidenepiperidine-4-carboximidamide;ethane?
The IUPAC name of N',1-dimethyl-N-prop-2-enylidenepiperidine-4-carboximidamide;ethane (CID 169104155) is N',1-dimethyl-N-prop-2-enylidenepiperidine-4-carboximidamide;ethane.
What is the SMILES notation for N',1-dimethyl-N-prop-2-enylidenepiperidine-4-carboximidamide;ethane?
The canonical SMILES for N',1-dimethyl-N-prop-2-enylidenepiperidine-4-carboximidamide;ethane is C=C/C=N/C(=N\C)C1CCN(C)CC1.CC.
What is the InChIKey of N',1-dimethyl-N-prop-2-enylidenepiperidine-4-carboximidamide;ethane?
The InChIKey is VJQYJLCDAHJRKB-IIFAYELBSA-N. The full InChI is InChI=1S/C11H19N3.C2H6/c1-4-7-13-11(12-2)10-5-8-14(3)9-6-10;1-2/h4,7,10H,1,5-6,8-9H2,2-3H3;1-2H3/b12-11-,13-7+;.
What are the key properties of N',1-dimethyl-N-prop-2-enylidenepiperidine-4-carboximidamide;ethane?
N',1-dimethyl-N-prop-2-enylidenepiperidine-4-carboximidamide;ethane has a molecular weight of 223.36 g/mol, XLogP of 2.64, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N',1-dimethyl-N-prop-2-enylidenepiperidine-4-carboximidamide;ethane is sourced from PubChem (CID 169104155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).