(5E)-5-(3-methylbut-2-enylidene)-7-methylidene-1,3-diazepin-4-amine

C11H15N3 — CID 126599083

IUPAC(5E)-5-(3-methylbut-2-enylidene)-7-methylidene-1,3-diazepin-4-amine
SMILESC=C1C/C(=C\C=C(C)C)C(N)=NC=N1
InChIInChI=1S/C11H15N3/c1-8(2)4-5-10-6-9(3)13-7-14-11(10)12/h4-5,7H,3,6H2,1-2H3,(H2,12,13,14)/b10-5+
InChIKeyOMIQNAQQNBKUKV-BJMVGYQFSA-N
MW189.26 g/mol
LogP2.18
Rot. Bonds1

About (5E)-5-(3-methylbut-2-enylidene)-7-methylidene-1,3-diazepin-4-amine

(5E)-5-(3-methylbut-2-enylidene)-7-methylidene-1,3-diazepin-4-amine (PubChem CID 126599083) has the molecular formula C11H15N3 and a molecular weight of 189.26 g/mol. Its IUPAC name is (5E)-5-(3-methylbut-2-enylidene)-7-methylidene-1,3-diazepin-4-amine.

Molecular Properties

Compound Name(5E)-5-(3-methylbut-2-enylidene)-7-methylidene-1,3-diazepin-4-amine
PubChem CID126599083
Molecular FormulaC11H15N3
Molecular Weight189.26 g/mol
Exact Mass189.13
IUPAC Name(5E)-5-(3-methylbut-2-enylidene)-7-methylidene-1,3-diazepin-4-amine
SMILESC=C1C/C(=C\C=C(C)C)C(N)=NC=N1
InChIInChI=1S/C11H15N3/c1-8(2)4-5-10-6-9(3)13-7-14-11(10)12/h4-5,7H,3,6H2,1-2H3,(H2,12,13,14)/b10-5+
InChIKeyOMIQNAQQNBKUKV-BJMVGYQFSA-N
XLogP2.18
TPSA50.74 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(5E)-4-methyl-6-methylidene-5-[(Z)-pent-2-enylidene]pyrimidine
CID 89038797
(4E,5E)-4-ethylidene-6-methyl-5-(2-methylprop-2-enylidene)pyrimidine
CID 90136221
3,4-Di(ethylidene)pyridin-2-amine
CID 90883572
(3E,4Z)-4-ethylidene-3-prop-2-enylidenepyridin-2-amine
CID 129060105
(2Z)-3-amino-N'-methyl-2-[(Z)-prop-1-enyl]penta-2,4-dienimidamide
CID 129060199
6-Methyl-2-methylidene-3,4-dihydroazepin-7-amine
CID 130446159
(5E,6E)-5,6-bis(prop-2-enylidene)pyrimidin-4-amine
CID 132097819
(5E,6E)-5-ethylidene-6-prop-2-enylidenepyrimidin-4-amine
CID 134443369
(3E)-3-[(Z)-3-amino-4,4-dimethylpent-2-enylidene]-4-methylidenepyridin-2-amine
CID 138526010
(5E,6E)-6-ethylidene-5-prop-2-enylidenepyrimidin-4-amine
CID 138747413
6H-cyclohepta[d]pyrimidin-2-amine
CID 140595613
(5E,6E)-5,6-di(ethylidene)pyrimidin-4-amine;ethane
CID 141883866

Frequently Asked Questions

What is the IUPAC name of (5E)-5-(3-methylbut-2-enylidene)-7-methylidene-1,3-diazepin-4-amine?
The IUPAC name of (5E)-5-(3-methylbut-2-enylidene)-7-methylidene-1,3-diazepin-4-amine (CID 126599083) is (5E)-5-(3-methylbut-2-enylidene)-7-methylidene-1,3-diazepin-4-amine.
What is the SMILES notation for (5E)-5-(3-methylbut-2-enylidene)-7-methylidene-1,3-diazepin-4-amine?
The canonical SMILES for (5E)-5-(3-methylbut-2-enylidene)-7-methylidene-1,3-diazepin-4-amine is C=C1C/C(=C\C=C(C)C)C(N)=NC=N1.
What is the InChIKey of (5E)-5-(3-methylbut-2-enylidene)-7-methylidene-1,3-diazepin-4-amine?
The InChIKey is OMIQNAQQNBKUKV-BJMVGYQFSA-N. The full InChI is InChI=1S/C11H15N3/c1-8(2)4-5-10-6-9(3)13-7-14-11(10)12/h4-5,7H,3,6H2,1-2H3,(H2,12,13,14)/b10-5+.
What are the key properties of (5E)-5-(3-methylbut-2-enylidene)-7-methylidene-1,3-diazepin-4-amine?
(5E)-5-(3-methylbut-2-enylidene)-7-methylidene-1,3-diazepin-4-amine has a molecular weight of 189.26 g/mol, XLogP of 2.18, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-(3-methylbut-2-enylidene)-7-methylidene-1,3-diazepin-4-amine is sourced from PubChem (CID 126599083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).