methane;(E)-3-(1-methylpiperidin-4-yl)iminoprop-1-ene-1,2-diamine

C10H22N4 — CID 166160047

IUPACmethane;(E)-3-(1-methylpiperidin-4-yl)iminoprop-1-ene-1,2-diamine
SMILESC.CN1CCC(/N=C/C(N)=C\N)CC1
InChIInChI=1S/C9H18N4.CH4/c1-13-4-2-9(3-5-13)12-7-8(11)6-10;/h6-7,9H,2-5,10-11H2,1H3;1H4/b8-6+,12-7+;
InChIKeyDYHYNJSXCCIYQI-FSNKCASMSA-N
MW198.31 g/mol
LogP0.55
Rot. Bonds2

About methane;(E)-3-(1-methylpiperidin-4-yl)iminoprop-1-ene-1,2-diamine

methane;(E)-3-(1-methylpiperidin-4-yl)iminoprop-1-ene-1,2-diamine (PubChem CID 166160047) has the molecular formula C10H22N4 and a molecular weight of 198.31 g/mol. Its IUPAC name is methane;(E)-3-(1-methylpiperidin-4-yl)iminoprop-1-ene-1,2-diamine.

Molecular Properties

Compound Namemethane;(E)-3-(1-methylpiperidin-4-yl)iminoprop-1-ene-1,2-diamine
PubChem CID166160047
Molecular FormulaC10H22N4
Molecular Weight198.31 g/mol
Exact Mass198.18
IUPAC Namemethane;(E)-3-(1-methylpiperidin-4-yl)iminoprop-1-ene-1,2-diamine
SMILESC.CN1CCC(/N=C/C(N)=C\N)CC1
InChIInChI=1S/C9H18N4.CH4/c1-13-4-2-9(3-5-13)12-7-8(11)6-10;/h6-7,9H,2-5,10-11H2,1H3;1H4/b8-6+,12-7+;
InChIKeyDYHYNJSXCCIYQI-FSNKCASMSA-N
XLogP0.55
TPSA67.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

(E)-3-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]iminoprop-1-ene-1,2-diamine
CID 139420880
(Z)-3-(1-methylpiperidin-4-yl)iminoprop-1-en-1-amine
CID 143782130
1-[(E)-1,4-diiminobut-2-en-2-yl]-N-methylpiperidin-4-amine
CID 144349549
azane;(Z)-1-N-(1-ethylpiperidin-4-yl)prop-1-ene-1,2-diamine
CID 145230008
(E)-3-(1-cyclopropylpiperidin-4-yl)iminoprop-1-ene-1,2-diamine
CID 145613148
ethane;(Z)-2-methyl-3-piperidin-4-yliminoprop-1-en-1-amine
CID 145654810
3-(1-Methylpiperidin-4-yl)iminoprop-1-ene-1,2-diamine
CID 148281286
3-(1-Methylpiperidin-4-yl)iminoprop-1-en-1-amine
CID 153153367
[(E)-2-amino-3-iminoprop-1-enyl]-(1-methylpiperidin-4-yl)azanium
CID 153566877
ethane;N-(3-iminoprop-1-enyl)-1-methylpiperidin-4-amine;tungsten
CID 153566924
ethane;(Z)-3-(1-methylpiperidin-4-yl)iminoprop-1-en-1-amine
CID 153567217
2-Methyl-3-piperidin-4-yliminoprop-1-en-1-amine
CID 153648261

Frequently Asked Questions

What is the IUPAC name of methane;(E)-3-(1-methylpiperidin-4-yl)iminoprop-1-ene-1,2-diamine?
The IUPAC name of methane;(E)-3-(1-methylpiperidin-4-yl)iminoprop-1-ene-1,2-diamine (CID 166160047) is methane;(E)-3-(1-methylpiperidin-4-yl)iminoprop-1-ene-1,2-diamine.
What is the SMILES notation for methane;(E)-3-(1-methylpiperidin-4-yl)iminoprop-1-ene-1,2-diamine?
The canonical SMILES for methane;(E)-3-(1-methylpiperidin-4-yl)iminoprop-1-ene-1,2-diamine is C.CN1CCC(/N=C/C(N)=C\N)CC1.
What is the InChIKey of methane;(E)-3-(1-methylpiperidin-4-yl)iminoprop-1-ene-1,2-diamine?
The InChIKey is DYHYNJSXCCIYQI-FSNKCASMSA-N. The full InChI is InChI=1S/C9H18N4.CH4/c1-13-4-2-9(3-5-13)12-7-8(11)6-10;/h6-7,9H,2-5,10-11H2,1H3;1H4/b8-6+,12-7+;.
What are the key properties of methane;(E)-3-(1-methylpiperidin-4-yl)iminoprop-1-ene-1,2-diamine?
methane;(E)-3-(1-methylpiperidin-4-yl)iminoprop-1-ene-1,2-diamine has a molecular weight of 198.31 g/mol, XLogP of 0.55, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methane;(E)-3-(1-methylpiperidin-4-yl)iminoprop-1-ene-1,2-diamine is sourced from PubChem (CID 166160047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).