N-methyl-N-piperidin-4-yl-N'-[(E)-prop-1-enyl]methanimidamide

C10H19N3 — CID 118489955

IUPACN-methyl-N-piperidin-4-yl-N'-[(E)-prop-1-enyl]methanimidamide
SMILESC/C=C/N=C/N(C)C1CCNCC1
InChIInChI=1S/C10H19N3/c1-3-6-12-9-13(2)10-4-7-11-8-5-10/h3,6,9-11H,4-5,7-8H2,1-2H3/b6-3+,12-9+
InChIKeyRRQDYZCTZZIPLK-QXSAOOQGSA-N
MW181.28 g/mol
LogP1.23
Rot. Bonds3

About N-methyl-N-piperidin-4-yl-N'-[(E)-prop-1-enyl]methanimidamide

N-methyl-N-piperidin-4-yl-N'-[(E)-prop-1-enyl]methanimidamide (PubChem CID 118489955) has the molecular formula C10H19N3 and a molecular weight of 181.28 g/mol. Its IUPAC name is N-methyl-N-piperidin-4-yl-N'-[(E)-prop-1-enyl]methanimidamide.

Molecular Properties

Compound NameN-methyl-N-piperidin-4-yl-N'-[(E)-prop-1-enyl]methanimidamide
PubChem CID118489955
Molecular FormulaC10H19N3
Molecular Weight181.28 g/mol
Exact Mass181.16
IUPAC NameN-methyl-N-piperidin-4-yl-N'-[(E)-prop-1-enyl]methanimidamide
SMILESC/C=C/N=C/N(C)C1CCNCC1
InChIInChI=1S/C10H19N3/c1-3-6-12-9-13(2)10-4-7-11-8-5-10/h3,6,9-11H,4-5,7-8H2,1-2H3/b6-3+,12-9+
InChIKeyRRQDYZCTZZIPLK-QXSAOOQGSA-N
XLogP1.23
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 51.23
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

3-piperidin-4-yl-4H-pyrimidin-2-amine
CID 56977113
1-Piperidin-4-yl-1,3-diazepine
CID 91502205
N-(3-aminobutyl)-N'-[(1E)-buta-1,3-dienyl]-N-methylmethanimidamide
CID 118489711
N'-piperidin-4-yl-N-[(E)-prop-1-enyl]methanimidamide
CID 118489951
N-(3-aminobutyl)-N-methyl-N'-[(E)-prop-1-enyl]methanimidamide
CID 118490343
1-[N-[(1Z)-buta-1,3-dienyl]-C-methylcarbonimidoyl]piperidin-4-amine
CID 141866281
ethane;(7Z)-4-methyl-3-piperidin-4-yl-4,9-dihydro-1,3,6-triazonine
CID 143126502
1-Ethenyl-3-methylidene-2-piperidin-4-ylguanidine
CID 143219764
(2E,6E,8Z)-6-methyl-5-piperidin-4-yl-1,4-dihydro-1,3,5-triazonine
CID 144056664
molecular hydrogen;N-piperidin-4-yl-N-[(E)-prop-1-enyl]methanimidamide
CID 144144868
N'-ethenyl-4-(methylamino)-N-methylidenepiperidine-1-carboximidamide
CID 144519605
1-(3-methyl-4H-pyrimidin-2-yl)piperidin-4-amine
CID 145307839

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-piperidin-4-yl-N'-[(E)-prop-1-enyl]methanimidamide?
The IUPAC name of N-methyl-N-piperidin-4-yl-N'-[(E)-prop-1-enyl]methanimidamide (CID 118489955) is N-methyl-N-piperidin-4-yl-N'-[(E)-prop-1-enyl]methanimidamide.
What is the SMILES notation for N-methyl-N-piperidin-4-yl-N'-[(E)-prop-1-enyl]methanimidamide?
The canonical SMILES for N-methyl-N-piperidin-4-yl-N'-[(E)-prop-1-enyl]methanimidamide is C/C=C/N=C/N(C)C1CCNCC1.
What is the InChIKey of N-methyl-N-piperidin-4-yl-N'-[(E)-prop-1-enyl]methanimidamide?
The InChIKey is RRQDYZCTZZIPLK-QXSAOOQGSA-N. The full InChI is InChI=1S/C10H19N3/c1-3-6-12-9-13(2)10-4-7-11-8-5-10/h3,6,9-11H,4-5,7-8H2,1-2H3/b6-3+,12-9+.
What are the key properties of N-methyl-N-piperidin-4-yl-N'-[(E)-prop-1-enyl]methanimidamide?
N-methyl-N-piperidin-4-yl-N'-[(E)-prop-1-enyl]methanimidamide has a molecular weight of 181.28 g/mol, XLogP of 1.23, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-piperidin-4-yl-N'-[(E)-prop-1-enyl]methanimidamide is sourced from PubChem (CID 118489955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).