(2E)-1-(C,N-dimethylcarbonimidoyl)-5-methyl-N-(1-methylpiperidin-4-yl)-2-propylidenepyridin-3-amine

C18H30N4 — CID 142345339

IUPAC(2E)-1-(C,N-dimethylcarbonimidoyl)-5-methyl-N-(1-methylpiperidin-4-yl)-2-propylidenepyridin-3-amine
SMILESCC/C=C1\C(NC2CCN(C)CC2)=CC(C)=CN1/C(C)=N/C
InChIInChI=1S/C18H30N4/c1-6-7-18-17(20-16-8-10-21(5)11-9-16)12-14(2)13-22(18)15(3)19-4/h7,12-13,16,20H,6,8-11H2,1-5H3/b18-7+,19-15+
InChIKeyAFMGDAIVCBVMFY-GZDKYGJJSA-N
MW302.47 g/mol
LogP3.12
Rot. Bonds3

About (2E)-1-(C,N-dimethylcarbonimidoyl)-5-methyl-N-(1-methylpiperidin-4-yl)-2-propylidenepyridin-3-amine

(2E)-1-(C,N-dimethylcarbonimidoyl)-5-methyl-N-(1-methylpiperidin-4-yl)-2-propylidenepyridin-3-amine (PubChem CID 142345339) has the molecular formula C18H30N4 and a molecular weight of 302.47 g/mol. Its IUPAC name is (2E)-1-(C,N-dimethylcarbonimidoyl)-5-methyl-N-(1-methylpiperidin-4-yl)-2-propylidenepyridin-3-amine.

Molecular Properties

Compound Name(2E)-1-(C,N-dimethylcarbonimidoyl)-5-methyl-N-(1-methylpiperidin-4-yl)-2-propylidenepyridin-3-amine
PubChem CID142345339
Molecular FormulaC18H30N4
Molecular Weight302.47 g/mol
Exact Mass302.25
IUPAC Name(2E)-1-(C,N-dimethylcarbonimidoyl)-5-methyl-N-(1-methylpiperidin-4-yl)-2-propylidenepyridin-3-amine
SMILESCC/C=C1\C(NC2CCN(C)CC2)=CC(C)=CN1/C(C)=N/C
InChIInChI=1S/C18H30N4/c1-6-7-18-17(20-16-8-10-21(5)11-9-16)12-14(2)13-22(18)15(3)19-4/h7,12-13,16,20H,6,8-11H2,1-5H3/b18-7+,19-15+
InChIKeyAFMGDAIVCBVMFY-GZDKYGJJSA-N
XLogP3.12
TPSA30.87 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.47
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

[(5E)-1-(3-fluoropiperidin-4-yl)-2-methyl-5-(2-methylidene-1H-pyrrol-3-ylidene)-4H-imidazol-4-yl]methanamine
CID 88929691
7-ethyl-2-piperazin-1-yl-4,4a,5,6,7,8-hexahydro-3H-pyrazino[2,3-c]azepine
CID 91305367
1-(4-Methyl-5,6-dimethylidene-2-pyridinyl)piperazine
CID 123234443
7-cyclonona-1,3-dien-1-yl-2,3-dimethyl-9-piperazin-1-yl-2H-pyrazino[1,2-a]pyrimidine
CID 123324389
N-[(3Z)-3-(aminomethyl)penta-1,3-dien-2-yl]-N'-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)propyl]pentanimidamide
CID 123483519
1,5-Dimethyl-2-(piperidin-4-ylmethyl)-3a,4-dihydrobenzimidazole
CID 123789944
1-[(2S)-5,6-dimethyl-1,2-dihydropyridin-2-yl]-2-(4,4-dimethylpiperazin-4-ium-1-yl)-2-iminoethanamine
CID 126627493
1-cyclobutyl-N-[[3-(2,6-dimethylidenepiperidin-3-yl)-2-methyl-4-methylidene-5,6-dihydroquinazolin-5-yl]methyl]ethenamine
CID 132064841
(1E,3Z,7Z)-7-(1-cyclopentyl-5-ethenyl-2-prop-1-en-2-yliminopyrrol-3-ylidene)-2-piperazin-1-ylhepta-1,3-dien-1-amine
CID 139516116
4-(1-aminoethenyl)-N,3-dimethyl-N-(1-methylpiperidin-4-yl)-2,3-dihydropyridin-6-amine;molecular hydrogen
CID 142583556
N,N-dimethyl-1-piperazin-1-yl-8H-cyclohepta[c]pyridin-7-amine
CID 143096898
N,N-dimethyl-3-[[(5E)-4-methyl-5-[(Z)-pent-2-enylidene]-2-(piperazin-1-ylmethyl)-1,4-dihydropyrimidin-6-ylidene]amino]propan-1-amine;ethane
CID 143396961

Frequently Asked Questions

What is the IUPAC name of (2E)-1-(C,N-dimethylcarbonimidoyl)-5-methyl-N-(1-methylpiperidin-4-yl)-2-propylidenepyridin-3-amine?
The IUPAC name of (2E)-1-(C,N-dimethylcarbonimidoyl)-5-methyl-N-(1-methylpiperidin-4-yl)-2-propylidenepyridin-3-amine (CID 142345339) is (2E)-1-(C,N-dimethylcarbonimidoyl)-5-methyl-N-(1-methylpiperidin-4-yl)-2-propylidenepyridin-3-amine.
What is the SMILES notation for (2E)-1-(C,N-dimethylcarbonimidoyl)-5-methyl-N-(1-methylpiperidin-4-yl)-2-propylidenepyridin-3-amine?
The canonical SMILES for (2E)-1-(C,N-dimethylcarbonimidoyl)-5-methyl-N-(1-methylpiperidin-4-yl)-2-propylidenepyridin-3-amine is CC/C=C1\C(NC2CCN(C)CC2)=CC(C)=CN1/C(C)=N/C.
What is the InChIKey of (2E)-1-(C,N-dimethylcarbonimidoyl)-5-methyl-N-(1-methylpiperidin-4-yl)-2-propylidenepyridin-3-amine?
The InChIKey is AFMGDAIVCBVMFY-GZDKYGJJSA-N. The full InChI is InChI=1S/C18H30N4/c1-6-7-18-17(20-16-8-10-21(5)11-9-16)12-14(2)13-22(18)15(3)19-4/h7,12-13,16,20H,6,8-11H2,1-5H3/b18-7+,19-15+.
What are the key properties of (2E)-1-(C,N-dimethylcarbonimidoyl)-5-methyl-N-(1-methylpiperidin-4-yl)-2-propylidenepyridin-3-amine?
(2E)-1-(C,N-dimethylcarbonimidoyl)-5-methyl-N-(1-methylpiperidin-4-yl)-2-propylidenepyridin-3-amine has a molecular weight of 302.47 g/mol, XLogP of 3.12, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-1-(C,N-dimethylcarbonimidoyl)-5-methyl-N-(1-methylpiperidin-4-yl)-2-propylidenepyridin-3-amine is sourced from PubChem (CID 142345339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).