N'-methyl-2-(1,2,3,6-tetrahydropyridin-4-yl)propane-1,3-diimine

C9H15N3 — CID 123571231

IUPACN'-methyl-2-(1,2,3,6-tetrahydropyridin-4-yl)propane-1,3-diimine
SMILES[H]/N=C/C(/C=N/C)C1=CCNCC1
InChIInChI=1S/C9H15N3/c1-11-7-9(6-10)8-2-4-12-5-3-8/h2,6-7,9-10,12H,3-5H2,1H3/b10-6+,11-7+
InChIKeyFBAPWZVWPOBQDU-JMQWPVDRSA-N
MW165.24 g/mol
LogP0.87
Rot. Bonds3

About N'-methyl-2-(1,2,3,6-tetrahydropyridin-4-yl)propane-1,3-diimine

N'-methyl-2-(1,2,3,6-tetrahydropyridin-4-yl)propane-1,3-diimine (PubChem CID 123571231) has the molecular formula C9H15N3 and a molecular weight of 165.24 g/mol. Its IUPAC name is N'-methyl-2-(1,2,3,6-tetrahydropyridin-4-yl)propane-1,3-diimine.

Molecular Properties

Compound NameN'-methyl-2-(1,2,3,6-tetrahydropyridin-4-yl)propane-1,3-diimine
PubChem CID123571231
Molecular FormulaC9H15N3
Molecular Weight165.24 g/mol
Exact Mass165.13
IUPAC NameN'-methyl-2-(1,2,3,6-tetrahydropyridin-4-yl)propane-1,3-diimine
SMILES[H]/N=C/C(/C=N/C)C1=CCNCC1
InChIInChI=1S/C9H15N3/c1-11-7-9(6-10)8-2-4-12-5-3-8/h2,6-7,9-10,12H,3-5H2,1H3/b10-6+,11-7+
InChIKeyFBAPWZVWPOBQDU-JMQWPVDRSA-N
XLogP0.87
TPSA48.24 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1,2,3,5,6,8a-Hexahydro-1,7-naphthyridine
CID 68745150
(E)-N-(2-ethyliminoethyl)-N'-methyl-4-propylpent-2-ene-1,5-diamine
CID 117913840
(E)-N-methyl-6-methylimino-4-propan-2-ylhex-4-en-1-amine
CID 123193034
1-cyclohexyl-N-(2,5-dihydropyridin-4-ylmethyl)propan-2-amine
CID 123222540
N-methyl-1-(3-methyl-2,3-dihydropyridin-4-yl)methanamine
CID 123600926
N,5-diethyl-3-methyl-9-methyliminonon-3-en-1-amine
CID 123998295
2-Methyl-1-(1,2,3,6-tetrahydropyridin-5-yl)propan-1-imine
CID 131966479
3-(2,3-dihydropyridin-4-yl)-N-methylbutan-1-amine
CID 134312786
(Z)-2-methyl-4-(methyliminomethyl)-N-(2-methylpent-1-en-3-yl)hex-4-en-1-amine
CID 134339579
5-[(3E,5Z)-hepta-3,5-dien-3-yl]-2-methyl-1,2,5,6-tetrahydropyrimidine
CID 137504024
N-(2,3-dihydropyridin-4-ylmethyl)propan-1-amine
CID 143003407
(E)-N-methyl-3-(1,2,3,6-tetrahydropyridin-4-yl)pent-3-en-1-imine
CID 144815538

Frequently Asked Questions

What is the IUPAC name of N'-methyl-2-(1,2,3,6-tetrahydropyridin-4-yl)propane-1,3-diimine?
The IUPAC name of N'-methyl-2-(1,2,3,6-tetrahydropyridin-4-yl)propane-1,3-diimine (CID 123571231) is N'-methyl-2-(1,2,3,6-tetrahydropyridin-4-yl)propane-1,3-diimine.
What is the SMILES notation for N'-methyl-2-(1,2,3,6-tetrahydropyridin-4-yl)propane-1,3-diimine?
The canonical SMILES for N'-methyl-2-(1,2,3,6-tetrahydropyridin-4-yl)propane-1,3-diimine is [H]/N=C/C(/C=N/C)C1=CCNCC1.
What is the InChIKey of N'-methyl-2-(1,2,3,6-tetrahydropyridin-4-yl)propane-1,3-diimine?
The InChIKey is FBAPWZVWPOBQDU-JMQWPVDRSA-N. The full InChI is InChI=1S/C9H15N3/c1-11-7-9(6-10)8-2-4-12-5-3-8/h2,6-7,9-10,12H,3-5H2,1H3/b10-6+,11-7+.
What are the key properties of N'-methyl-2-(1,2,3,6-tetrahydropyridin-4-yl)propane-1,3-diimine?
N'-methyl-2-(1,2,3,6-tetrahydropyridin-4-yl)propane-1,3-diimine has a molecular weight of 165.24 g/mol, XLogP of 0.87, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-2-(1,2,3,6-tetrahydropyridin-4-yl)propane-1,3-diimine is sourced from PubChem (CID 123571231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).