methane;1-(3-methylcyclohepta-1,6-dien-1-yl)-4-pyrrolidin-1-ylpiperidine

C19H36N2 — CID 143453576

IUPACmethane;1-(3-methylcyclohepta-1,6-dien-1-yl)-4-pyrrolidin-1-ylpiperidine
SMILESC.C.CC1C=C(N2CCC(N3CCCC3)CC2)C=CCC1
InChIInChI=1S/C17H28N2.2CH4/c1-15-6-2-3-7-17(14-15)19-12-8-16(9-13-19)18-10-4-5-11-18;;/h3,7,14-16H,2,4-6,8-13H2,1H3;2*1H4
InChIKeyNDUIHFMNRSKSDN-UHFFFAOYSA-N
MW292.51 g/mol
LogP4.69
Rot. Bonds2

About methane;1-(3-methylcyclohepta-1,6-dien-1-yl)-4-pyrrolidin-1-ylpiperidine

methane;1-(3-methylcyclohepta-1,6-dien-1-yl)-4-pyrrolidin-1-ylpiperidine (PubChem CID 143453576) has the molecular formula C19H36N2 and a molecular weight of 292.51 g/mol. Its IUPAC name is methane;1-(3-methylcyclohepta-1,6-dien-1-yl)-4-pyrrolidin-1-ylpiperidine.

Molecular Properties

Compound Namemethane;1-(3-methylcyclohepta-1,6-dien-1-yl)-4-pyrrolidin-1-ylpiperidine
PubChem CID143453576
Molecular FormulaC19H36N2
Molecular Weight292.51 g/mol
Exact Mass292.29
IUPAC Namemethane;1-(3-methylcyclohepta-1,6-dien-1-yl)-4-pyrrolidin-1-ylpiperidine
SMILESC.C.CC1C=C(N2CCC(N3CCCC3)CC2)C=CCC1
InChIInChI=1S/C17H28N2.2CH4/c1-15-6-2-3-7-17(14-15)19-12-8-16(9-13-19)18-10-4-5-11-18;;/h3,7,14-16H,2,4-6,8-13H2,1H3;2*1H4
InChIKeyNDUIHFMNRSKSDN-UHFFFAOYSA-N
XLogP4.69
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.51
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(6-fluoro-2-methylcyclohexa-1,5-dien-1-yl)methyl]-N,N-dimethyl-4-[(2E,4Z,6E)-6-(4-methylpiperazin-1-yl)octa-2,4,6-trien-3-yl]pyrrolidin-3-amine
CID 166885654
1-[(3E,4Z)-3-ethylidenehepta-1,4,6-trien-2-yl]-N-methyl-N-(2-methylbutan-2-yl)piperidin-4-amine
CID 89331026
1-[(3E,5Z)-hepta-3,5-dien-3-yl]-4-pyrrolidin-1-ylpiperidine
CID 89357865
(2E,3Z)-5-methyl-1-[(3E,5Z)-octa-1,3,5,7-tetraen-3-yl]-2,3-bis(prop-2-enylidene)piperidine
CID 129132461
N-[[1-[(3E,5E)-5-methylocta-3,5,7-trien-4-yl]piperidin-3-yl]methyl]-N-pent-1-en-2-ylcyclopentanamine
CID 132159841
N-methyl-N-[[5-methyl-1-(5-methylheptyl)pyrrolidin-2-yl]methyl]cyclohexa-1,5-dien-1-amine
CID 134242689
1-Butan-2-yl-4-(5-methylcyclohepta-1,6-dien-1-yl)piperazine
CID 141800890
ethane;(Z)-N-[(1-methylpiperidin-3-yl)methyl]-N-[(Z)-prop-1-enyl]hex-2-en-2-amine
CID 142002049
ethane;(Z)-N-[(1-methylpiperidin-3-yl)methyl]-N-[(Z)-prop-1-enyl]hept-3-en-3-amine
CID 142002236
1-[(3S)-3-[(2E)-2-(3-methylbut-2-enylidene)pyrrolidin-1-yl]-3-(5-methylcyclohexa-1,5-dien-1-yl)propyl]piperidine
CID 143120426
Ethane;7-methyl-1-propan-2-yl-2,3,4,6,7,8-hexahydrocyclohepta[b]pyridine
CID 143477764
2,2-dimethyl-1-[(3Z,5Z,7Z)-2-methyl-5-propan-2-ylnona-3,5,7-trien-4-yl]pyrrolidine
CID 143731083

Frequently Asked Questions

What is the IUPAC name of methane;1-(3-methylcyclohepta-1,6-dien-1-yl)-4-pyrrolidin-1-ylpiperidine?
The IUPAC name of methane;1-(3-methylcyclohepta-1,6-dien-1-yl)-4-pyrrolidin-1-ylpiperidine (CID 143453576) is methane;1-(3-methylcyclohepta-1,6-dien-1-yl)-4-pyrrolidin-1-ylpiperidine.
What is the SMILES notation for methane;1-(3-methylcyclohepta-1,6-dien-1-yl)-4-pyrrolidin-1-ylpiperidine?
The canonical SMILES for methane;1-(3-methylcyclohepta-1,6-dien-1-yl)-4-pyrrolidin-1-ylpiperidine is C.C.CC1C=C(N2CCC(N3CCCC3)CC2)C=CCC1.
What is the InChIKey of methane;1-(3-methylcyclohepta-1,6-dien-1-yl)-4-pyrrolidin-1-ylpiperidine?
The InChIKey is NDUIHFMNRSKSDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2.2CH4/c1-15-6-2-3-7-17(14-15)19-12-8-16(9-13-19)18-10-4-5-11-18;;/h3,7,14-16H,2,4-6,8-13H2,1H3;2*1H4.
What are the key properties of methane;1-(3-methylcyclohepta-1,6-dien-1-yl)-4-pyrrolidin-1-ylpiperidine?
methane;1-(3-methylcyclohepta-1,6-dien-1-yl)-4-pyrrolidin-1-ylpiperidine has a molecular weight of 292.51 g/mol, XLogP of 4.69, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methane;1-(3-methylcyclohepta-1,6-dien-1-yl)-4-pyrrolidin-1-ylpiperidine is sourced from PubChem (CID 143453576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).