N'-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]prop-2-enimidamide

C13H25N3 — CID 123645248

IUPACN'-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]prop-2-enimidamide
SMILESC=C/C(=N\C)NCCCN1CCCCC1C
InChIInChI=1S/C13H25N3/c1-4-13(14-3)15-9-7-11-16-10-6-5-8-12(16)2/h4,12H,1,5-11H2,2-3H3,(H,14,15)
InChIKeyUDVCJPRZPPKJCB-UHFFFAOYSA-N
MW223.36 g/mol
LogP2.05
Rot. Bonds5

About N'-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]prop-2-enimidamide

N'-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]prop-2-enimidamide (PubChem CID 123645248) has the molecular formula C13H25N3 and a molecular weight of 223.36 g/mol. Its IUPAC name is N'-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]prop-2-enimidamide.

Molecular Properties

Compound NameN'-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]prop-2-enimidamide
PubChem CID123645248
Molecular FormulaC13H25N3
Molecular Weight223.36 g/mol
Exact Mass223.20
IUPAC NameN'-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]prop-2-enimidamide
SMILESC=C/C(=N\C)NCCCN1CCCCC1C
InChIInChI=1S/C13H25N3/c1-4-13(14-3)15-9-7-11-16-10-6-5-8-12(16)2/h4,12H,1,5-11H2,2-3H3,(H,14,15)
InChIKeyUDVCJPRZPPKJCB-UHFFFAOYSA-N
XLogP2.05
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

1-(C-but-1-enyl-N-methylcarbonimidoyl)piperidin-4-amine
CID 91487969
ethane;N'-methyl-N-pentan-3-ylprop-2-enimidamide
CID 143846720
N-(1-methylpiperidin-4-yl)-2,3-dihydropyridin-6-amine
CID 147429113
(Z)-N-butan-2-yl-N'-piperidin-4-ylbut-2-enimidamide
CID 169926951
N-(2H-pyrrol-5-yl)piperidin-4-amine
CID 175177090
N'-methyl-N-pentan-3-ylprop-2-enimidamide
CID 143846721
1-[(Z)-4-iminobut-2-enimidoyl]-N-methylpiperidin-4-amine
CID 145081293
2-Ethenyl-4,6-dimethyl-1,4,5,6-tetrahydropyrimidine
CID 158142260
4-(2-(Methyl-d3)piperidin-1-yl-2,3,3,4,4,5,5,6,6-d9)pyrimidin-5,6-d2-2-amine
CID 176521303

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]prop-2-enimidamide?
The IUPAC name of N'-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]prop-2-enimidamide (CID 123645248) is N'-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]prop-2-enimidamide.
What is the SMILES notation for N'-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]prop-2-enimidamide?
The canonical SMILES for N'-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]prop-2-enimidamide is C=C/C(=N\C)NCCCN1CCCCC1C.
What is the InChIKey of N'-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]prop-2-enimidamide?
The InChIKey is UDVCJPRZPPKJCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3/c1-4-13(14-3)15-9-7-11-16-10-6-5-8-12(16)2/h4,12H,1,5-11H2,2-3H3,(H,14,15).
What are the key properties of N'-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]prop-2-enimidamide?
N'-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]prop-2-enimidamide has a molecular weight of 223.36 g/mol, XLogP of 2.05, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]prop-2-enimidamide is sourced from PubChem (CID 123645248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).