N-methyl-1-[1-[N-methyl-C-[(Z)-prop-1-enyl]carbonimidoyl]piperidin-4-yl]ethenamine

C13H23N3 — CID 139332598

IUPACN-methyl-1-[1-[N-methyl-C-[(Z)-prop-1-enyl]carbonimidoyl]piperidin-4-yl]ethenamine
SMILESC=C(NC)C1CCN(C(/C=C\C)=N/C)CC1
InChIInChI=1S/C13H23N3/c1-5-6-13(15-4)16-9-7-12(8-10-16)11(2)14-3/h5-6,12,14H,2,7-10H2,1,3-4H3/b6-5-,15-13+
InChIKeyATDCHMXJOPQJSL-ZEIZGHEPSA-N
MW221.35 g/mol
LogP2.04
Rot. Bonds3

About N-methyl-1-[1-[N-methyl-C-[(Z)-prop-1-enyl]carbonimidoyl]piperidin-4-yl]ethenamine

N-methyl-1-[1-[N-methyl-C-[(Z)-prop-1-enyl]carbonimidoyl]piperidin-4-yl]ethenamine (PubChem CID 139332598) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is N-methyl-1-[1-[N-methyl-C-[(Z)-prop-1-enyl]carbonimidoyl]piperidin-4-yl]ethenamine.

Molecular Properties

Compound NameN-methyl-1-[1-[N-methyl-C-[(Z)-prop-1-enyl]carbonimidoyl]piperidin-4-yl]ethenamine
PubChem CID139332598
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC NameN-methyl-1-[1-[N-methyl-C-[(Z)-prop-1-enyl]carbonimidoyl]piperidin-4-yl]ethenamine
SMILESC=C(NC)C1CCN(C(/C=C\C)=N/C)CC1
InChIInChI=1S/C13H23N3/c1-5-6-13(15-4)16-9-7-12(8-10-16)11(2)14-3/h5-6,12,14H,2,7-10H2,1,3-4H3/b6-5-,15-13+
InChIKeyATDCHMXJOPQJSL-ZEIZGHEPSA-N
XLogP2.04
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 52.04
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'}

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Related Compounds

1-[(E)-but-2-enoyl]piperidine-4-carboxylic acid
CID 24698061
1-but-2-enoylpiperidine-4-carboxamide
CID 78907164
(Z)-N,N'-dimethylbut-2-enimidamide
CID 58400962
N-methyl-1-[1-[(1Z,3E)-1-(methylideneamino)penta-1,3-dien-3-yl]piperidin-4-yl]methanamine
CID 163517866
N,N',4-trimethylpiperidine-1-carboximidamide;hydroiodide
CID 86768469
1-N-methyl-1-N'-[1-[(1Z,3Z)-1-(methylideneamino)penta-1,3-dienyl]piperidin-4-yl]ethene-1,1-diamine
CID 143564646
2-(1-acetylpiperidin-4-yl)prop-2-enal
CID 45119214
1-acetyl-N-methylpyrrolidine-3-carboxamide;ethane
CID 171808100
4-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-1-methylpiperidine
CID 89363927
[(1Z)-3-[(2R)-1-tert-butylpiperidin-2-yl]buta-1,3-dienyl]-methyldiazene
CID 155148351
1-(C,N-dimethylcarbonimidoyl)piperidine-4-carboxylic acid
CID 59639391
1-(cyclopropanecarbonyl)-N-methylpiperidine-4-carboxamide
CID 60637060

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[1-[N-methyl-C-[(Z)-prop-1-enyl]carbonimidoyl]piperidin-4-yl]ethenamine?
The IUPAC name of N-methyl-1-[1-[N-methyl-C-[(Z)-prop-1-enyl]carbonimidoyl]piperidin-4-yl]ethenamine (CID 139332598) is N-methyl-1-[1-[N-methyl-C-[(Z)-prop-1-enyl]carbonimidoyl]piperidin-4-yl]ethenamine.
What is the SMILES notation for N-methyl-1-[1-[N-methyl-C-[(Z)-prop-1-enyl]carbonimidoyl]piperidin-4-yl]ethenamine?
The canonical SMILES for N-methyl-1-[1-[N-methyl-C-[(Z)-prop-1-enyl]carbonimidoyl]piperidin-4-yl]ethenamine is C=C(NC)C1CCN(C(/C=C\C)=N/C)CC1.
What is the InChIKey of N-methyl-1-[1-[N-methyl-C-[(Z)-prop-1-enyl]carbonimidoyl]piperidin-4-yl]ethenamine?
The InChIKey is ATDCHMXJOPQJSL-ZEIZGHEPSA-N. The full InChI is InChI=1S/C13H23N3/c1-5-6-13(15-4)16-9-7-12(8-10-16)11(2)14-3/h5-6,12,14H,2,7-10H2,1,3-4H3/b6-5-,15-13+.
What are the key properties of N-methyl-1-[1-[N-methyl-C-[(Z)-prop-1-enyl]carbonimidoyl]piperidin-4-yl]ethenamine?
N-methyl-1-[1-[N-methyl-C-[(Z)-prop-1-enyl]carbonimidoyl]piperidin-4-yl]ethenamine has a molecular weight of 221.35 g/mol, XLogP of 2.04, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[1-[N-methyl-C-[(Z)-prop-1-enyl]carbonimidoyl]piperidin-4-yl]ethenamine is sourced from PubChem (CID 139332598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).