N-methyl-N-(piperidin-1-ylmethyl)-N'-[(Z)-prop-1-enyl]methanimidamide

C11H21N3 — CID 178176194

IUPACN-methyl-N-(piperidin-1-ylmethyl)-N'-[(Z)-prop-1-enyl]methanimidamide
SMILESC/C=C\N=C\N(C)CN1CCCCC1
InChIInChI=1S/C11H21N3/c1-3-7-12-10-13(2)11-14-8-5-4-6-9-14/h3,7,10H,4-6,8-9,11H2,1-2H3/b7-3-,12-10+
InChIKeyUCIYERGMEBKCSU-DTFKZNEQSA-N
MW195.31 g/mol
LogP1.92
Rot. Bonds4

About N-methyl-N-(piperidin-1-ylmethyl)-N'-[(Z)-prop-1-enyl]methanimidamide

N-methyl-N-(piperidin-1-ylmethyl)-N'-[(Z)-prop-1-enyl]methanimidamide (PubChem CID 178176194) has the molecular formula C11H21N3 and a molecular weight of 195.31 g/mol. Its IUPAC name is N-methyl-N-(piperidin-1-ylmethyl)-N'-[(Z)-prop-1-enyl]methanimidamide.

Molecular Properties

Compound NameN-methyl-N-(piperidin-1-ylmethyl)-N'-[(Z)-prop-1-enyl]methanimidamide
PubChem CID178176194
Molecular FormulaC11H21N3
Molecular Weight195.31 g/mol
Exact Mass195.17
IUPAC NameN-methyl-N-(piperidin-1-ylmethyl)-N'-[(Z)-prop-1-enyl]methanimidamide
SMILESC/C=C\N=C\N(C)CN1CCCCC1
InChIInChI=1S/C11H21N3/c1-3-7-12-10-13(2)11-14-8-5-4-6-9-14/h3,7,10H,4-6,8-9,11H2,1-2H3/b7-3-,12-10+
InChIKeyUCIYERGMEBKCSU-DTFKZNEQSA-N
XLogP1.92
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 51.92
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

azepan-1-ylmethyl-methyl-prop-1-enylsilane
CID 172736121
N-methyl-N-(piperidin-1-ylmethyl)cyclohexanamine
CID 142673635
ethane;N-[(Z)-prop-1-enyl]propan-1-imine;vanadium
CID 143659410
N-[2-[formyl(piperidin-1-ylmethyl)amino]ethyl]-N-(piperidin-1-ylmethyl)formamide
CID 2928717
1-methylpyrrolidine;2-[[(Z)-prop-1-enyl]iminomethylimino]propylurea
CID 143260306
methyl(piperidin-1-ylmethyl)diazene
CID 143818478
N,N-dimethyl-1-piperidin-1-ylmethanamine;bis(2,2,2-trifluoroacetic acid)
CID 171927990
1-ethylpiperidine
CID 13007
N-[3-(azepan-1-yl)propyl]ethanimine
CID 91533828
1-[(1,3-dimethylazetidin-3-yl)methyl]piperidine
CID 166536995
N,N-bis(piperidin-1-ylmethyl)cyclohexanamine
CID 174740959
(E)-N-methyl-N-(6-piperidin-1-ylhexyl)but-2-enamide
CID 110459787

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(piperidin-1-ylmethyl)-N'-[(Z)-prop-1-enyl]methanimidamide?
The IUPAC name of N-methyl-N-(piperidin-1-ylmethyl)-N'-[(Z)-prop-1-enyl]methanimidamide (CID 178176194) is N-methyl-N-(piperidin-1-ylmethyl)-N'-[(Z)-prop-1-enyl]methanimidamide.
What is the SMILES notation for N-methyl-N-(piperidin-1-ylmethyl)-N'-[(Z)-prop-1-enyl]methanimidamide?
The canonical SMILES for N-methyl-N-(piperidin-1-ylmethyl)-N'-[(Z)-prop-1-enyl]methanimidamide is C/C=C\N=C\N(C)CN1CCCCC1.
What is the InChIKey of N-methyl-N-(piperidin-1-ylmethyl)-N'-[(Z)-prop-1-enyl]methanimidamide?
The InChIKey is UCIYERGMEBKCSU-DTFKZNEQSA-N. The full InChI is InChI=1S/C11H21N3/c1-3-7-12-10-13(2)11-14-8-5-4-6-9-14/h3,7,10H,4-6,8-9,11H2,1-2H3/b7-3-,12-10+.
What are the key properties of N-methyl-N-(piperidin-1-ylmethyl)-N'-[(Z)-prop-1-enyl]methanimidamide?
N-methyl-N-(piperidin-1-ylmethyl)-N'-[(Z)-prop-1-enyl]methanimidamide has a molecular weight of 195.31 g/mol, XLogP of 1.92, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(piperidin-1-ylmethyl)-N'-[(Z)-prop-1-enyl]methanimidamide is sourced from PubChem (CID 178176194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).