ethane;methane;N-methyl-N-[(3-methylcyclopent-3-en-1-yl)methyl]-2-(1-methylpiperidin-3-yl)ethanamine

C19H40N2 — CID 142067707

IUPACethane;methane;N-methyl-N-[(3-methylcyclopent-3-en-1-yl)methyl]-2-(1-methylpiperidin-3-yl)ethanamine
SMILESC.CC.CC1=CCC(CN(C)CCC2CCCN(C)C2)C1
InChIInChI=1S/C16H30N2.C2H6.CH4/c1-14-6-7-16(11-14)13-18(3)10-8-15-5-4-9-17(2)12-15;1-2;/h6,15-16H,4-5,7-13H2,1-3H3;1-2H3;1H4
InChIKeyOKLVMGJDQABPLR-UHFFFAOYSA-N
MW296.54 g/mol
LogP4.67
Rot. Bonds5

About ethane;methane;N-methyl-N-[(3-methylcyclopent-3-en-1-yl)methyl]-2-(1-methylpiperidin-3-yl)ethanamine

ethane;methane;N-methyl-N-[(3-methylcyclopent-3-en-1-yl)methyl]-2-(1-methylpiperidin-3-yl)ethanamine (PubChem CID 142067707) has the molecular formula C19H40N2 and a molecular weight of 296.54 g/mol. Its IUPAC name is ethane;methane;N-methyl-N-[(3-methylcyclopent-3-en-1-yl)methyl]-2-(1-methylpiperidin-3-yl)ethanamine.

Molecular Properties

Compound Nameethane;methane;N-methyl-N-[(3-methylcyclopent-3-en-1-yl)methyl]-2-(1-methylpiperidin-3-yl)ethanamine
PubChem CID142067707
Molecular FormulaC19H40N2
Molecular Weight296.54 g/mol
Exact Mass296.32
IUPAC Nameethane;methane;N-methyl-N-[(3-methylcyclopent-3-en-1-yl)methyl]-2-(1-methylpiperidin-3-yl)ethanamine
SMILESC.CC.CC1=CCC(CN(C)CCC2CCCN(C)C2)C1
InChIInChI=1S/C16H30N2.C2H6.CH4/c1-14-6-7-16(11-14)13-18(3)10-8-15-5-4-9-17(2)12-15;1-2;/h6,15-16H,4-5,7-13H2,1-3H3;1-2H3;1H4
InChIKeyOKLVMGJDQABPLR-UHFFFAOYSA-N
XLogP4.67
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.54
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze ethane;methane;N-methyl-N-[(3-methylcyclopent-3-en-1-yl)methyl]-2-(1-methylpiperidin-3-yl)ethanamine with MolForge

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Related Compounds

[methyl-[2-(1-methylpiperidin-3-yl)ethyl]amino]methanol
CID 115229573
1-N,2-dimethyl-1-N-[2-(1-methylpiperidin-3-yl)ethyl]propane-1,2-diamine
CID 115136320
N-methyl-N-[[1-(methylaminomethyl)cyclopropyl]methyl]-2-(1-methylpiperidin-3-yl)ethanamine
CID 115244956
N-methyl-2-(1-methylpiperidin-3-yl)-N-(piperidin-2-ylmethyl)ethanamine
CID 115209441
4-[[methyl-[2-(1-methylpyrrolidin-3-yl)ethyl]amino]methyl]cyclohexan-1-one
CID 115240296
N-methyl-N-[2-(1-methylpiperidin-3-yl)ethyl]propan-2-amine
CID 117044255
1-[(3E)-cyclooct-3-en-1-yl]-N-methyl-N-[[(1S)-4-methylcyclohex-3-en-1-yl]methyl]methanamine;ethane;methane
CID 142068061
ethane;2-methylbut-2-ene;N-methyl-N-[(1-methylpiperidin-3-yl)methyl]propan-1-amine
CID 142068067
N-cyclopropyl-N'-methyl-N'-[(1-methylpiperidin-3-yl)methyl]ethane-1,2-diamine
CID 115207045
2-(methylamino)-3-[methyl-[2-(1-methylpiperidin-3-yl)ethyl]amino]propanoic acid
CID 115256304
2-[methyl-[2-(1-methylpyrrolidin-3-yl)ethyl]amino]ethanethiol
CID 115224443
N-(methoxymethyl)-N-methyl-1-(1-methylpiperidin-3-yl)methanamine
CID 115258790

Frequently Asked Questions

What is the IUPAC name of ethane;methane;N-methyl-N-[(3-methylcyclopent-3-en-1-yl)methyl]-2-(1-methylpiperidin-3-yl)ethanamine?
The IUPAC name of ethane;methane;N-methyl-N-[(3-methylcyclopent-3-en-1-yl)methyl]-2-(1-methylpiperidin-3-yl)ethanamine (CID 142067707) is ethane;methane;N-methyl-N-[(3-methylcyclopent-3-en-1-yl)methyl]-2-(1-methylpiperidin-3-yl)ethanamine.
What is the SMILES notation for ethane;methane;N-methyl-N-[(3-methylcyclopent-3-en-1-yl)methyl]-2-(1-methylpiperidin-3-yl)ethanamine?
The canonical SMILES for ethane;methane;N-methyl-N-[(3-methylcyclopent-3-en-1-yl)methyl]-2-(1-methylpiperidin-3-yl)ethanamine is C.CC.CC1=CCC(CN(C)CCC2CCCN(C)C2)C1.
What is the InChIKey of ethane;methane;N-methyl-N-[(3-methylcyclopent-3-en-1-yl)methyl]-2-(1-methylpiperidin-3-yl)ethanamine?
The InChIKey is OKLVMGJDQABPLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2.C2H6.CH4/c1-14-6-7-16(11-14)13-18(3)10-8-15-5-4-9-17(2)12-15;1-2;/h6,15-16H,4-5,7-13H2,1-3H3;1-2H3;1H4.
What are the key properties of ethane;methane;N-methyl-N-[(3-methylcyclopent-3-en-1-yl)methyl]-2-(1-methylpiperidin-3-yl)ethanamine?
ethane;methane;N-methyl-N-[(3-methylcyclopent-3-en-1-yl)methyl]-2-(1-methylpiperidin-3-yl)ethanamine has a molecular weight of 296.54 g/mol, XLogP of 4.67, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methane;N-methyl-N-[(3-methylcyclopent-3-en-1-yl)methyl]-2-(1-methylpiperidin-3-yl)ethanamine is sourced from PubChem (CID 142067707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).