(2E)-2-(4,5-dihydrotriazin-4-ylmethylidene)-N,N-dimethylpiperidin-4-amine

C11H19N5 — CID 155776254

IUPAC(2E)-2-(4,5-dihydrotriazin-4-ylmethylidene)-N,N-dimethylpiperidin-4-amine
SMILESCN(C)C1CCN/C(=C/C2CC=NN=N2)C1
InChIInChI=1S/C11H19N5/c1-16(2)11-4-5-12-10(8-11)7-9-3-6-13-15-14-9/h6-7,9,11-12H,3-5,8H2,1-2H3/b10-7+
InChIKeyJTJXSUWFWMENRI-JXMROGBWSA-N
MW221.31 g/mol
LogP1.39
Rot. Bonds2

About (2E)-2-(4,5-dihydrotriazin-4-ylmethylidene)-N,N-dimethylpiperidin-4-amine

(2E)-2-(4,5-dihydrotriazin-4-ylmethylidene)-N,N-dimethylpiperidin-4-amine (PubChem CID 155776254) has the molecular formula C11H19N5 and a molecular weight of 221.31 g/mol. Its IUPAC name is (2E)-2-(4,5-dihydrotriazin-4-ylmethylidene)-N,N-dimethylpiperidin-4-amine.

Molecular Properties

Compound Name(2E)-2-(4,5-dihydrotriazin-4-ylmethylidene)-N,N-dimethylpiperidin-4-amine
PubChem CID155776254
Molecular FormulaC11H19N5
Molecular Weight221.31 g/mol
Exact Mass221.16
IUPAC Name(2E)-2-(4,5-dihydrotriazin-4-ylmethylidene)-N,N-dimethylpiperidin-4-amine
SMILESCN(C)C1CCN/C(=C/C2CC=NN=N2)C1
InChIInChI=1S/C11H19N5/c1-16(2)11-4-5-12-10(8-11)7-9-3-6-13-15-14-9/h6-7,9,11-12H,3-5,8H2,1-2H3/b10-7+
InChIKeyJTJXSUWFWMENRI-JXMROGBWSA-N
XLogP1.39
TPSA52.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.31
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-(methylaminomethyl)-N-(1-prop-1-en-2-ylpiperidin-4-yl)-3,4-dihydropyridin-5-amine
CID 137506839
1-[(E)-5-amino-1-iminohex-4-en-2-yl]-N,N-dipropylpiperidin-4-amine
CID 153405619
1-(3,4-Dihydropyridin-6-ylmethyl)piperidin-4-amine
CID 154687138
N-[2-(3,4-dihydropyridin-6-yl)ethyl]-1-piperidin-2-ylethenamine
CID 164044478

Frequently Asked Questions

What is the IUPAC name of (2E)-2-(4,5-dihydrotriazin-4-ylmethylidene)-N,N-dimethylpiperidin-4-amine?
The IUPAC name of (2E)-2-(4,5-dihydrotriazin-4-ylmethylidene)-N,N-dimethylpiperidin-4-amine (CID 155776254) is (2E)-2-(4,5-dihydrotriazin-4-ylmethylidene)-N,N-dimethylpiperidin-4-amine.
What is the SMILES notation for (2E)-2-(4,5-dihydrotriazin-4-ylmethylidene)-N,N-dimethylpiperidin-4-amine?
The canonical SMILES for (2E)-2-(4,5-dihydrotriazin-4-ylmethylidene)-N,N-dimethylpiperidin-4-amine is CN(C)C1CCN/C(=C/C2CC=NN=N2)C1.
What is the InChIKey of (2E)-2-(4,5-dihydrotriazin-4-ylmethylidene)-N,N-dimethylpiperidin-4-amine?
The InChIKey is JTJXSUWFWMENRI-JXMROGBWSA-N. The full InChI is InChI=1S/C11H19N5/c1-16(2)11-4-5-12-10(8-11)7-9-3-6-13-15-14-9/h6-7,9,11-12H,3-5,8H2,1-2H3/b10-7+.
What are the key properties of (2E)-2-(4,5-dihydrotriazin-4-ylmethylidene)-N,N-dimethylpiperidin-4-amine?
(2E)-2-(4,5-dihydrotriazin-4-ylmethylidene)-N,N-dimethylpiperidin-4-amine has a molecular weight of 221.31 g/mol, XLogP of 1.39, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-(4,5-dihydrotriazin-4-ylmethylidene)-N,N-dimethylpiperidin-4-amine is sourced from PubChem (CID 155776254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).