methane;1-[3-methyl-6-[4-(2-methylpropyl)piperidin-1-yl]-2,3-dihydropyridin-4-yl]ethenamine;molecular hydrogen

C18H35N3 — CID 142583905

IUPACmethane;1-[3-methyl-6-[4-(2-methylpropyl)piperidin-1-yl]-2,3-dihydropyridin-4-yl]ethenamine;molecular hydrogen
SMILESC.C=C(N)C1=CC(N2CCC(CC(C)C)CC2)=NCC1C.[H][H]
InChIInChI=1S/C17H29N3.CH4.H2/c1-12(2)9-15-5-7-20(8-6-15)17-10-16(14(4)18)13(3)11-19-17;;/h10,12-13,15H,4-9,11,18H2,1-3H3;1H4;1H
InChIKeyUPBIYQSJTGNKEF-UHFFFAOYSA-N
MW293.50 g/mol
LogP4.07
Rot. Bonds3

About methane;1-[3-methyl-6-[4-(2-methylpropyl)piperidin-1-yl]-2,3-dihydropyridin-4-yl]ethenamine;molecular hydrogen

methane;1-[3-methyl-6-[4-(2-methylpropyl)piperidin-1-yl]-2,3-dihydropyridin-4-yl]ethenamine;molecular hydrogen (PubChem CID 142583905) has the molecular formula C18H35N3 and a molecular weight of 293.50 g/mol. Its IUPAC name is methane;1-[3-methyl-6-[4-(2-methylpropyl)piperidin-1-yl]-2,3-dihydropyridin-4-yl]ethenamine;molecular hydrogen.

Molecular Properties

Compound Namemethane;1-[3-methyl-6-[4-(2-methylpropyl)piperidin-1-yl]-2,3-dihydropyridin-4-yl]ethenamine;molecular hydrogen
PubChem CID142583905
Molecular FormulaC18H35N3
Molecular Weight293.50 g/mol
Exact Mass293.28
IUPAC Namemethane;1-[3-methyl-6-[4-(2-methylpropyl)piperidin-1-yl]-2,3-dihydropyridin-4-yl]ethenamine;molecular hydrogen
SMILESC.C=C(N)C1=CC(N2CCC(CC(C)C)CC2)=NCC1C.[H][H]
InChIInChI=1S/C17H29N3.CH4.H2/c1-12(2)9-15-5-7-20(8-6-15)17-10-16(14(4)18)13(3)11-19-17;;/h10,12-13,15H,4-9,11,18H2,1-3H3;1H4;1H
InChIKeyUPBIYQSJTGNKEF-UHFFFAOYSA-N
XLogP4.07
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.50
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[4-(1-cyclopropylethyl)-1-methyl-3,6-dihydro-2H-pyridin-5-yl]imino]-3-[4-[(2E)-1-fluoro-2-(1-fluoroethyl)penta-2,4-dienyl]piperidin-1-yl]prop-1-en-2-amine
CID 138457677
N-buta-1,3-dien-2-yl-1-methyl-3-[6-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]piperidin-2-imine;ethane
CID 143949812
(Z)-[(2E)-1-[N-but-1-en-2-yl-C-[(E)-1-fluoroprop-1-enyl]carbonimidoyl]-2-(3-methylbutylidene)-4-piperidin-4-ylpyrrol-3-ylidene]methanamine
CID 146504423
N-buta-1,3-dien-2-yl-1-methyl-3-[6-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]piperidin-2-imine
CID 143949813
N'-(6-cyclopropyl-3-ethyl-2,3-dihydropyridin-4-yl)-3-methyl-N-[4-methyl-7-(5-methylcyclohexa-1,5-dien-1-yl)-1-(3-methylidenepiperidin-1-yl)hept-6-enylidene]pentanimidamide
CID 91419634
(2E,4E)-6-methyl-5-[C-(4-methylpiperidin-1-yl)-N-prop-1-en-2-ylcarbonimidoyl]-N,N-dipropylhepta-2,4,6-trien-3-amine
CID 118617834
4-Methyl-5-piperidin-4-yl-1-prop-1-en-2-ylpyridin-2-imine
CID 123256021
4-methyl-1-(5-methylhexyl)-8H-pyrido[2,3-b]azepin-5-imine
CID 123307248
(E)-6-amino-3-methyl-N'-[(3Z)-6-methylhepta-1,3,6-trien-2-yl]-N-(2-propan-2-ylhexa-2,4-dienyl)-N-propylhex-2-enimidamide
CID 123824883
(E,2E)-N-ethenyl-2-ethylidene-1-[(2S)-2-methylpiperidin-1-yl]-3-propan-2-ylhex-3-en-1-imine
CID 126516250
8-Butyl-6-(4-ethylhept-1-en-2-yl)-2-(4-methylcyclohexa-1,3-dien-1-yl)-4-methylidene-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 130183252
(7Z,9Z)-1-(3-butan-2-yl-2-methylidene-1-pyridinyl)-N,2-dimethyldodeca-7,9,11-trien-1-imine
CID 130374259

Frequently Asked Questions

What is the IUPAC name of methane;1-[3-methyl-6-[4-(2-methylpropyl)piperidin-1-yl]-2,3-dihydropyridin-4-yl]ethenamine;molecular hydrogen?
The IUPAC name of methane;1-[3-methyl-6-[4-(2-methylpropyl)piperidin-1-yl]-2,3-dihydropyridin-4-yl]ethenamine;molecular hydrogen (CID 142583905) is methane;1-[3-methyl-6-[4-(2-methylpropyl)piperidin-1-yl]-2,3-dihydropyridin-4-yl]ethenamine;molecular hydrogen.
What is the SMILES notation for methane;1-[3-methyl-6-[4-(2-methylpropyl)piperidin-1-yl]-2,3-dihydropyridin-4-yl]ethenamine;molecular hydrogen?
The canonical SMILES for methane;1-[3-methyl-6-[4-(2-methylpropyl)piperidin-1-yl]-2,3-dihydropyridin-4-yl]ethenamine;molecular hydrogen is C.C=C(N)C1=CC(N2CCC(CC(C)C)CC2)=NCC1C.[H][H].
What is the InChIKey of methane;1-[3-methyl-6-[4-(2-methylpropyl)piperidin-1-yl]-2,3-dihydropyridin-4-yl]ethenamine;molecular hydrogen?
The InChIKey is UPBIYQSJTGNKEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3.CH4.H2/c1-12(2)9-15-5-7-20(8-6-15)17-10-16(14(4)18)13(3)11-19-17;;/h10,12-13,15H,4-9,11,18H2,1-3H3;1H4;1H.
What are the key properties of methane;1-[3-methyl-6-[4-(2-methylpropyl)piperidin-1-yl]-2,3-dihydropyridin-4-yl]ethenamine;molecular hydrogen?
methane;1-[3-methyl-6-[4-(2-methylpropyl)piperidin-1-yl]-2,3-dihydropyridin-4-yl]ethenamine;molecular hydrogen has a molecular weight of 293.50 g/mol, XLogP of 4.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methane;1-[3-methyl-6-[4-(2-methylpropyl)piperidin-1-yl]-2,3-dihydropyridin-4-yl]ethenamine;molecular hydrogen is sourced from PubChem (CID 142583905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).