(Z)-N,N-dimethyl-2-[(6Z,8Z)-10-methylidene-4,5-dihydro-1,3-diazecin-1-yl]ethenamine

C13H19N3 — CID 146532675

IUPAC(Z)-N,N-dimethyl-2-[(6Z,8Z)-10-methylidene-4,5-dihydro-1,3-diazecin-1-yl]ethenamine
SMILESC=C1/C=C\C=C/CC/N=C\N1/C=C\N(C)C
InChIInChI=1S/C13H19N3/c1-13-8-6-4-5-7-9-14-12-16(13)11-10-15(2)3/h4-6,8,10-12H,1,7,9H2,2-3H3/b5-4-,8-6-,11-10-,14-12-
InChIKeyLPCFPHYYXXHYBE-FXLNMYRYSA-N
MW217.32 g/mol
LogP2.38
Rot. Bonds2

About (Z)-N,N-dimethyl-2-[(6Z,8Z)-10-methylidene-4,5-dihydro-1,3-diazecin-1-yl]ethenamine

(Z)-N,N-dimethyl-2-[(6Z,8Z)-10-methylidene-4,5-dihydro-1,3-diazecin-1-yl]ethenamine (PubChem CID 146532675) has the molecular formula C13H19N3 and a molecular weight of 217.32 g/mol. Its IUPAC name is (Z)-N,N-dimethyl-2-[(6Z,8Z)-10-methylidene-4,5-dihydro-1,3-diazecin-1-yl]ethenamine.

Molecular Properties

Compound Name(Z)-N,N-dimethyl-2-[(6Z,8Z)-10-methylidene-4,5-dihydro-1,3-diazecin-1-yl]ethenamine
PubChem CID146532675
Molecular FormulaC13H19N3
Molecular Weight217.32 g/mol
Exact Mass217.16
IUPAC Name(Z)-N,N-dimethyl-2-[(6Z,8Z)-10-methylidene-4,5-dihydro-1,3-diazecin-1-yl]ethenamine
SMILESC=C1/C=C\C=C/CC/N=C\N1/C=C\N(C)C
InChIInChI=1S/C13H19N3/c1-13-8-6-4-5-7-9-14-12-16(13)11-10-15(2)3/h4-6,8,10-12H,1,7,9H2,2-3H3/b5-4-,8-6-,11-10-,14-12-
InChIKeyLPCFPHYYXXHYBE-FXLNMYRYSA-N
XLogP2.38
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.32
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (Z)-N,N-dimethyl-2-[(6Z,8Z)-10-methylidene-4,5-dihydro-1,3-diazecin-1-yl]ethenamine?
The IUPAC name of (Z)-N,N-dimethyl-2-[(6Z,8Z)-10-methylidene-4,5-dihydro-1,3-diazecin-1-yl]ethenamine (CID 146532675) is (Z)-N,N-dimethyl-2-[(6Z,8Z)-10-methylidene-4,5-dihydro-1,3-diazecin-1-yl]ethenamine.
What is the SMILES notation for (Z)-N,N-dimethyl-2-[(6Z,8Z)-10-methylidene-4,5-dihydro-1,3-diazecin-1-yl]ethenamine?
The canonical SMILES for (Z)-N,N-dimethyl-2-[(6Z,8Z)-10-methylidene-4,5-dihydro-1,3-diazecin-1-yl]ethenamine is C=C1/C=C\C=C/CC/N=C\N1/C=C\N(C)C.
What is the InChIKey of (Z)-N,N-dimethyl-2-[(6Z,8Z)-10-methylidene-4,5-dihydro-1,3-diazecin-1-yl]ethenamine?
The InChIKey is LPCFPHYYXXHYBE-FXLNMYRYSA-N. The full InChI is InChI=1S/C13H19N3/c1-13-8-6-4-5-7-9-14-12-16(13)11-10-15(2)3/h4-6,8,10-12H,1,7,9H2,2-3H3/b5-4-,8-6-,11-10-,14-12-.
What are the key properties of (Z)-N,N-dimethyl-2-[(6Z,8Z)-10-methylidene-4,5-dihydro-1,3-diazecin-1-yl]ethenamine?
(Z)-N,N-dimethyl-2-[(6Z,8Z)-10-methylidene-4,5-dihydro-1,3-diazecin-1-yl]ethenamine has a molecular weight of 217.32 g/mol, XLogP of 2.38, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N,N-dimethyl-2-[(6Z,8Z)-10-methylidene-4,5-dihydro-1,3-diazecin-1-yl]ethenamine is sourced from PubChem (CID 146532675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).