(3E)-3-[(Z)-3-amino-4,4-dimethylpent-2-enylidene]-4-methylidenepyridin-2-amine

C13H19N3 — CID 138526010

IUPAC(3E)-3-[(Z)-3-amino-4,4-dimethylpent-2-enylidene]-4-methylidenepyridin-2-amine
SMILESC=c1ccnc(N)/c1=C/C=C(\N)C(C)(C)C
InChIInChI=1S/C13H19N3/c1-9-7-8-16-12(15)10(9)5-6-11(14)13(2,3)4/h5-8H,1,14H2,2-4H3,(H2,15,16)/b10-5+,11-6-
InChIKeySSEMVWWPLMFSFD-NJWBCTSZSA-N
MW217.32 g/mol
LogP0.74
Rot. Bonds1

About (3E)-3-[(Z)-3-amino-4,4-dimethylpent-2-enylidene]-4-methylidenepyridin-2-amine

(3E)-3-[(Z)-3-amino-4,4-dimethylpent-2-enylidene]-4-methylidenepyridin-2-amine (PubChem CID 138526010) has the molecular formula C13H19N3 and a molecular weight of 217.32 g/mol. Its IUPAC name is (3E)-3-[(Z)-3-amino-4,4-dimethylpent-2-enylidene]-4-methylidenepyridin-2-amine.

Molecular Properties

Compound Name(3E)-3-[(Z)-3-amino-4,4-dimethylpent-2-enylidene]-4-methylidenepyridin-2-amine
PubChem CID138526010
Molecular FormulaC13H19N3
Molecular Weight217.32 g/mol
Exact Mass217.16
IUPAC Name(3E)-3-[(Z)-3-amino-4,4-dimethylpent-2-enylidene]-4-methylidenepyridin-2-amine
SMILESC=c1ccnc(N)/c1=C/C=C(\N)C(C)(C)C
InChIInChI=1S/C13H19N3/c1-9-7-8-16-12(15)10(9)5-6-11(14)13(2,3)4/h5-8H,1,14H2,2-4H3,(H2,15,16)/b10-5+,11-6-
InChIKeySSEMVWWPLMFSFD-NJWBCTSZSA-N
XLogP0.74
TPSA64.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.32
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(E)-3-fluoro-6,6-dimethyl-2,5-dimethylidene-N'-[(Z)-prop-1-enyl]hept-3-enimidamide
CID 89016765
(4E)-5-fluoro-4-[(Z)-2-methylhex-4-en-3-ylidene]-3-methylidenepyridin-2-amine
CID 167098863
(2E,3Z,5Z)-2-(1-aminoethylidene)-N'-ethenyl-3-fluoro-5-methylhepta-3,5-dienimidamide
CID 173671358
(Z)-N'-[(E)-but-1-enyl]-2-[(E)-1-fluoroprop-1-enyl]-3-methylhex-2-enimidamide
CID 145143694
3-Prop-2-enylazocin-2-amine
CID 53963453
(3Z,5Z,7Z)-3-prop-2-enylazocin-2-amine
CID 67754598
N'-methyl-2-[[(3E)-penta-1,3-dien-2-yl]amino]cyclohexa-1,3-diene-1-carboximidamide
CID 89091557
6,7-Dihydroisoquinolin-1-amine
CID 90254144
3,4-Di(ethylidene)pyridin-2-amine
CID 90883572
3,4-Di(ethylidene)-5-methylpyridin-2-amine
CID 90910641
(3Z)-3-[(Z)-2-methylbut-2-enylidene]pyrrol-2-amine
CID 118474874
5-(4-Ethylidene-2,3-dimethylhepta-2,5-dienylidene)-6-methylidenepyrimidine-2,4-diamine
CID 123864881

Frequently Asked Questions

What is the IUPAC name of (3E)-3-[(Z)-3-amino-4,4-dimethylpent-2-enylidene]-4-methylidenepyridin-2-amine?
The IUPAC name of (3E)-3-[(Z)-3-amino-4,4-dimethylpent-2-enylidene]-4-methylidenepyridin-2-amine (CID 138526010) is (3E)-3-[(Z)-3-amino-4,4-dimethylpent-2-enylidene]-4-methylidenepyridin-2-amine.
What is the SMILES notation for (3E)-3-[(Z)-3-amino-4,4-dimethylpent-2-enylidene]-4-methylidenepyridin-2-amine?
The canonical SMILES for (3E)-3-[(Z)-3-amino-4,4-dimethylpent-2-enylidene]-4-methylidenepyridin-2-amine is C=c1ccnc(N)/c1=C/C=C(\N)C(C)(C)C.
What is the InChIKey of (3E)-3-[(Z)-3-amino-4,4-dimethylpent-2-enylidene]-4-methylidenepyridin-2-amine?
The InChIKey is SSEMVWWPLMFSFD-NJWBCTSZSA-N. The full InChI is InChI=1S/C13H19N3/c1-9-7-8-16-12(15)10(9)5-6-11(14)13(2,3)4/h5-8H,1,14H2,2-4H3,(H2,15,16)/b10-5+,11-6-.
What are the key properties of (3E)-3-[(Z)-3-amino-4,4-dimethylpent-2-enylidene]-4-methylidenepyridin-2-amine?
(3E)-3-[(Z)-3-amino-4,4-dimethylpent-2-enylidene]-4-methylidenepyridin-2-amine has a molecular weight of 217.32 g/mol, XLogP of 0.74, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-[(Z)-3-amino-4,4-dimethylpent-2-enylidene]-4-methylidenepyridin-2-amine is sourced from PubChem (CID 138526010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).