ethane;(Z)-N-[(1-methylpiperidin-3-yl)methyl]-N-[(Z)-prop-1-enyl]hex-2-en-2-amine

C18H36N2 — CID 142002049

IUPACethane;(Z)-N-[(1-methylpiperidin-3-yl)methyl]-N-[(Z)-prop-1-enyl]hex-2-en-2-amine
SMILESC/C=C\N(CC1CCCN(C)C1)/C(C)=C\CCC.CC
InChIInChI=1S/C16H30N2.C2H6/c1-5-7-9-15(3)18(11-6-2)14-16-10-8-12-17(4)13-16;1-2/h6,9,11,16H,5,7-8,10,12-14H2,1-4H3;1-2H3/b11-6-,15-9-;
InChIKeyHWFTYOMPIORKFB-IMOWYBHISA-N
MW280.50 g/mol
LogP4.89
Rot. Bonds6

About ethane;(Z)-N-[(1-methylpiperidin-3-yl)methyl]-N-[(Z)-prop-1-enyl]hex-2-en-2-amine

ethane;(Z)-N-[(1-methylpiperidin-3-yl)methyl]-N-[(Z)-prop-1-enyl]hex-2-en-2-amine (PubChem CID 142002049) has the molecular formula C18H36N2 and a molecular weight of 280.50 g/mol. Its IUPAC name is ethane;(Z)-N-[(1-methylpiperidin-3-yl)methyl]-N-[(Z)-prop-1-enyl]hex-2-en-2-amine.

Molecular Properties

Compound Nameethane;(Z)-N-[(1-methylpiperidin-3-yl)methyl]-N-[(Z)-prop-1-enyl]hex-2-en-2-amine
PubChem CID142002049
Molecular FormulaC18H36N2
Molecular Weight280.50 g/mol
Exact Mass280.29
IUPAC Nameethane;(Z)-N-[(1-methylpiperidin-3-yl)methyl]-N-[(Z)-prop-1-enyl]hex-2-en-2-amine
SMILESC/C=C\N(CC1CCCN(C)C1)/C(C)=C\CCC.CC
InChIInChI=1S/C16H30N2.C2H6/c1-5-7-9-15(3)18(11-6-2)14-16-10-8-12-17(4)13-16;1-2/h6,9,11,16H,5,7-8,10,12-14H2,1-4H3;1-2H3/b11-6-,15-9-;
InChIKeyHWFTYOMPIORKFB-IMOWYBHISA-N
XLogP4.89
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.50
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze ethane;(Z)-N-[(1-methylpiperidin-3-yl)methyl]-N-[(Z)-prop-1-enyl]hex-2-en-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethane;(Z)-N-[(1-methylpiperidin-3-yl)methyl]-N-[(Z)-prop-1-enyl]hex-2-en-2-amine?
The IUPAC name of ethane;(Z)-N-[(1-methylpiperidin-3-yl)methyl]-N-[(Z)-prop-1-enyl]hex-2-en-2-amine (CID 142002049) is ethane;(Z)-N-[(1-methylpiperidin-3-yl)methyl]-N-[(Z)-prop-1-enyl]hex-2-en-2-amine.
What is the SMILES notation for ethane;(Z)-N-[(1-methylpiperidin-3-yl)methyl]-N-[(Z)-prop-1-enyl]hex-2-en-2-amine?
The canonical SMILES for ethane;(Z)-N-[(1-methylpiperidin-3-yl)methyl]-N-[(Z)-prop-1-enyl]hex-2-en-2-amine is C/C=C\N(CC1CCCN(C)C1)/C(C)=C\CCC.CC.
What is the InChIKey of ethane;(Z)-N-[(1-methylpiperidin-3-yl)methyl]-N-[(Z)-prop-1-enyl]hex-2-en-2-amine?
The InChIKey is HWFTYOMPIORKFB-IMOWYBHISA-N. The full InChI is InChI=1S/C16H30N2.C2H6/c1-5-7-9-15(3)18(11-6-2)14-16-10-8-12-17(4)13-16;1-2/h6,9,11,16H,5,7-8,10,12-14H2,1-4H3;1-2H3/b11-6-,15-9-;.
What are the key properties of ethane;(Z)-N-[(1-methylpiperidin-3-yl)methyl]-N-[(Z)-prop-1-enyl]hex-2-en-2-amine?
ethane;(Z)-N-[(1-methylpiperidin-3-yl)methyl]-N-[(Z)-prop-1-enyl]hex-2-en-2-amine has a molecular weight of 280.50 g/mol, XLogP of 4.89, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(Z)-N-[(1-methylpiperidin-3-yl)methyl]-N-[(Z)-prop-1-enyl]hex-2-en-2-amine is sourced from PubChem (CID 142002049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).