N'-(4-methyl-1,2,3,6-tetrahydropyridin-5-yl)-N-phenylmethanimidamide

C13H17N3 — CID 129200359

IUPACN'-(4-methyl-1,2,3,6-tetrahydropyridin-5-yl)-N-phenylmethanimidamide
SMILESCC1=C(/N=C/Nc2ccccc2)CNCC1
InChIInChI=1S/C13H17N3/c1-11-7-8-14-9-13(11)16-10-15-12-5-3-2-4-6-12/h2-6,10,14H,7-9H2,1H3,(H,15,16)
InChIKeyVRPCBVMQWICQOP-UHFFFAOYSA-N
MW215.30 g/mol
LogP2.39
Rot. Bonds3

About N'-(4-methyl-1,2,3,6-tetrahydropyridin-5-yl)-N-phenylmethanimidamide

N'-(4-methyl-1,2,3,6-tetrahydropyridin-5-yl)-N-phenylmethanimidamide (PubChem CID 129200359) has the molecular formula C13H17N3 and a molecular weight of 215.30 g/mol. Its IUPAC name is N'-(4-methyl-1,2,3,6-tetrahydropyridin-5-yl)-N-phenylmethanimidamide.

Molecular Properties

Compound NameN'-(4-methyl-1,2,3,6-tetrahydropyridin-5-yl)-N-phenylmethanimidamide
PubChem CID129200359
Molecular FormulaC13H17N3
Molecular Weight215.30 g/mol
Exact Mass215.14
IUPAC NameN'-(4-methyl-1,2,3,6-tetrahydropyridin-5-yl)-N-phenylmethanimidamide
SMILESCC1=C(/N=C/Nc2ccccc2)CNCC1
InChIInChI=1S/C13H17N3/c1-11-7-8-14-9-13(11)16-10-15-12-5-3-2-4-6-12/h2-6,10,14H,7-9H2,1H3,(H,15,16)
InChIKeyVRPCBVMQWICQOP-UHFFFAOYSA-N
XLogP2.39
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 52.39
H-Bond Donors ≤ 52
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'-(4-methyl-1,2,3,6-tetrahydropyridin-5-yl)-N-phenylmethanimidamide?
The IUPAC name of N'-(4-methyl-1,2,3,6-tetrahydropyridin-5-yl)-N-phenylmethanimidamide (CID 129200359) is N'-(4-methyl-1,2,3,6-tetrahydropyridin-5-yl)-N-phenylmethanimidamide.
What is the SMILES notation for N'-(4-methyl-1,2,3,6-tetrahydropyridin-5-yl)-N-phenylmethanimidamide?
The canonical SMILES for N'-(4-methyl-1,2,3,6-tetrahydropyridin-5-yl)-N-phenylmethanimidamide is CC1=C(/N=C/Nc2ccccc2)CNCC1.
What is the InChIKey of N'-(4-methyl-1,2,3,6-tetrahydropyridin-5-yl)-N-phenylmethanimidamide?
The InChIKey is VRPCBVMQWICQOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3/c1-11-7-8-14-9-13(11)16-10-15-12-5-3-2-4-6-12/h2-6,10,14H,7-9H2,1H3,(H,15,16).
What are the key properties of N'-(4-methyl-1,2,3,6-tetrahydropyridin-5-yl)-N-phenylmethanimidamide?
N'-(4-methyl-1,2,3,6-tetrahydropyridin-5-yl)-N-phenylmethanimidamide has a molecular weight of 215.30 g/mol, XLogP of 2.39, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-methyl-1,2,3,6-tetrahydropyridin-5-yl)-N-phenylmethanimidamide is sourced from PubChem (CID 129200359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).