butane;1-cyclohexyl-3-methyl-N-[1-(4-methylpiperidin-4-yl)ethenyl]but-3-en-2-amine;ethane

C25H50N2 — CID 142170490

IUPACbutane;1-cyclohexyl-3-methyl-N-[1-(4-methylpiperidin-4-yl)ethenyl]but-3-en-2-amine;ethane
SMILESC=C(C)C(CC1CCCCC1)NC(=C)C1(C)CCNCC1.CC.CCCC
InChIInChI=1S/C19H34N2.C4H10.C2H6/c1-15(2)18(14-17-8-6-5-7-9-17)21-16(3)19(4)10-12-20-13-11-19;1-3-4-2;1-2/h17-18,20-21H,1,3,5-14H2,2,4H3;3-4H2,1-2H3;1-2H3
InChIKeyLFKPDYVWXUHARM-UHFFFAOYSA-N
MW378.69 g/mol
LogP7.23
Rot. Bonds7

About butane;1-cyclohexyl-3-methyl-N-[1-(4-methylpiperidin-4-yl)ethenyl]but-3-en-2-amine;ethane

butane;1-cyclohexyl-3-methyl-N-[1-(4-methylpiperidin-4-yl)ethenyl]but-3-en-2-amine;ethane (PubChem CID 142170490) has the molecular formula C25H50N2 and a molecular weight of 378.69 g/mol. Its IUPAC name is butane;1-cyclohexyl-3-methyl-N-[1-(4-methylpiperidin-4-yl)ethenyl]but-3-en-2-amine;ethane.

Molecular Properties

Compound Namebutane;1-cyclohexyl-3-methyl-N-[1-(4-methylpiperidin-4-yl)ethenyl]but-3-en-2-amine;ethane
PubChem CID142170490
Molecular FormulaC25H50N2
Molecular Weight378.69 g/mol
Exact Mass378.40
IUPAC Namebutane;1-cyclohexyl-3-methyl-N-[1-(4-methylpiperidin-4-yl)ethenyl]but-3-en-2-amine;ethane
SMILESC=C(C)C(CC1CCCCC1)NC(=C)C1(C)CCNCC1.CC.CCCC
InChIInChI=1S/C19H34N2.C4H10.C2H6/c1-15(2)18(14-17-8-6-5-7-9-17)21-16(3)19(4)10-12-20-13-11-19;1-3-4-2;1-2/h17-18,20-21H,1,3,5-14H2,2,4H3;3-4H2,1-2H3;1-2H3
InChIKeyLFKPDYVWXUHARM-UHFFFAOYSA-N
XLogP7.23
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.69
LogP ≤ 57.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of butane;1-cyclohexyl-3-methyl-N-[1-(4-methylpiperidin-4-yl)ethenyl]but-3-en-2-amine;ethane?
The IUPAC name of butane;1-cyclohexyl-3-methyl-N-[1-(4-methylpiperidin-4-yl)ethenyl]but-3-en-2-amine;ethane (CID 142170490) is butane;1-cyclohexyl-3-methyl-N-[1-(4-methylpiperidin-4-yl)ethenyl]but-3-en-2-amine;ethane.
What is the SMILES notation for butane;1-cyclohexyl-3-methyl-N-[1-(4-methylpiperidin-4-yl)ethenyl]but-3-en-2-amine;ethane?
The canonical SMILES for butane;1-cyclohexyl-3-methyl-N-[1-(4-methylpiperidin-4-yl)ethenyl]but-3-en-2-amine;ethane is C=C(C)C(CC1CCCCC1)NC(=C)C1(C)CCNCC1.CC.CCCC.
What is the InChIKey of butane;1-cyclohexyl-3-methyl-N-[1-(4-methylpiperidin-4-yl)ethenyl]but-3-en-2-amine;ethane?
The InChIKey is LFKPDYVWXUHARM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N2.C4H10.C2H6/c1-15(2)18(14-17-8-6-5-7-9-17)21-16(3)19(4)10-12-20-13-11-19;1-3-4-2;1-2/h17-18,20-21H,1,3,5-14H2,2,4H3;3-4H2,1-2H3;1-2H3.
What are the key properties of butane;1-cyclohexyl-3-methyl-N-[1-(4-methylpiperidin-4-yl)ethenyl]but-3-en-2-amine;ethane?
butane;1-cyclohexyl-3-methyl-N-[1-(4-methylpiperidin-4-yl)ethenyl]but-3-en-2-amine;ethane has a molecular weight of 378.69 g/mol, XLogP of 7.23, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butane;1-cyclohexyl-3-methyl-N-[1-(4-methylpiperidin-4-yl)ethenyl]but-3-en-2-amine;ethane is sourced from PubChem (CID 142170490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).