ethane;1-(4-methylpiperidin-1-yl)ethenamine

C12H28N2 — CID 143246259

IUPACethane;1-(4-methylpiperidin-1-yl)ethenamine
SMILESC=C(N)N1CCC(C)CC1.CC.CC
InChIInChI=1S/C8H16N2.2C2H6/c1-7-3-5-10(6-4-7)8(2)9;2*1-2/h7H,2-6,9H2,1H3;2*1-2H3
InChIKeyKBMMZOXWUMVQPS-UHFFFAOYSA-N
MW200.37 g/mol
LogP3.20
Rot. Bonds1

About ethane;1-(4-methylpiperidin-1-yl)ethenamine

ethane;1-(4-methylpiperidin-1-yl)ethenamine (PubChem CID 143246259) has the molecular formula C12H28N2 and a molecular weight of 200.37 g/mol. Its IUPAC name is ethane;1-(4-methylpiperidin-1-yl)ethenamine.

Molecular Properties

Compound Nameethane;1-(4-methylpiperidin-1-yl)ethenamine
PubChem CID143246259
Molecular FormulaC12H28N2
Molecular Weight200.37 g/mol
Exact Mass200.23
IUPAC Nameethane;1-(4-methylpiperidin-1-yl)ethenamine
SMILESC=C(N)N1CCC(C)CC1.CC.CC
InChIInChI=1S/C8H16N2.2C2H6/c1-7-3-5-10(6-4-7)8(2)9;2*1-2/h7H,2-6,9H2,1H3;2*1-2H3
InChIKeyKBMMZOXWUMVQPS-UHFFFAOYSA-N
XLogP3.20
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.37
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(E)-3-amino-3-(4-methylpiperidin-1-yl)prop-2-enenitrile
CID 134923390
(4-Methylpiperidin-1-yl)methanediamine
CID 18727760
4-Methyl-1-[1-(4-methylpiperidin-1-yl)ethenyl]piperidine
CID 20530655
1-(4-Methylpiperidin-1-yl)ethenamine
CID 21341319
(4-Methylpiperidin-1-yl)methanamine
CID 21706021
1-(3-Methylpiperidin-1-yl)ethenamine
CID 22943346
1-Piperidin-1-ylprop-1-en-1-amine
CID 66782408
1-(4-Methylpiperidin-1-yl)ethanamine
CID 67052989
1-(4-Methylpiperidin-1-yl)propan-1-amine
CID 67052992
(E)-1-(4-methylpiperidin-1-yl)prop-1-en-1-amine
CID 67892212
(4-Ethylpiperidin-1-yl)methanamine
CID 70226122
1-(3,5-Dimethylpiperidin-1-yl)ethenamine
CID 89325074

Frequently Asked Questions

What is the IUPAC name of ethane;1-(4-methylpiperidin-1-yl)ethenamine?
The IUPAC name of ethane;1-(4-methylpiperidin-1-yl)ethenamine (CID 143246259) is ethane;1-(4-methylpiperidin-1-yl)ethenamine.
What is the SMILES notation for ethane;1-(4-methylpiperidin-1-yl)ethenamine?
The canonical SMILES for ethane;1-(4-methylpiperidin-1-yl)ethenamine is C=C(N)N1CCC(C)CC1.CC.CC.
What is the InChIKey of ethane;1-(4-methylpiperidin-1-yl)ethenamine?
The InChIKey is KBMMZOXWUMVQPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2.2C2H6/c1-7-3-5-10(6-4-7)8(2)9;2*1-2/h7H,2-6,9H2,1H3;2*1-2H3.
What are the key properties of ethane;1-(4-methylpiperidin-1-yl)ethenamine?
ethane;1-(4-methylpiperidin-1-yl)ethenamine has a molecular weight of 200.37 g/mol, XLogP of 3.20, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-(4-methylpiperidin-1-yl)ethenamine is sourced from PubChem (CID 143246259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).