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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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).