(E,2Z)-4-[(Z)-2-amino-2-(methylideneamino)ethenyl]-2-ethylidene-5-N-methylhex-4-ene-1,5-diamine

C12H22N4 — CID 126675827

IUPAC(E,2Z)-4-[(Z)-2-amino-2-(methylideneamino)ethenyl]-2-ethylidene-5-N-methylhex-4-ene-1,5-diamine
SMILESC=N/C(N)=C\C(C/C(=C/C)CN)=C(/C)NC
InChIInChI=1S/C12H22N4/c1-5-10(8-13)6-11(9(2)15-3)7-12(14)16-4/h5,7,15H,4,6,8,13-14H2,1-3H3/b10-5-,11-9+,12-7-
InChIKeyGAQGGZIWEWMOBO-RFJNWZHGSA-N
MW222.34 g/mol
LogP1.28
Rot. Bonds6

About (E,2Z)-4-[(Z)-2-amino-2-(methylideneamino)ethenyl]-2-ethylidene-5-N-methylhex-4-ene-1,5-diamine

(E,2Z)-4-[(Z)-2-amino-2-(methylideneamino)ethenyl]-2-ethylidene-5-N-methylhex-4-ene-1,5-diamine (PubChem CID 126675827) has the molecular formula C12H22N4 and a molecular weight of 222.34 g/mol. Its IUPAC name is (E,2Z)-4-[(Z)-2-amino-2-(methylideneamino)ethenyl]-2-ethylidene-5-N-methylhex-4-ene-1,5-diamine.

Molecular Properties

Compound Name(E,2Z)-4-[(Z)-2-amino-2-(methylideneamino)ethenyl]-2-ethylidene-5-N-methylhex-4-ene-1,5-diamine
PubChem CID126675827
Molecular FormulaC12H22N4
Molecular Weight222.34 g/mol
Exact Mass222.18
IUPAC Name(E,2Z)-4-[(Z)-2-amino-2-(methylideneamino)ethenyl]-2-ethylidene-5-N-methylhex-4-ene-1,5-diamine
SMILESC=N/C(N)=C\C(C/C(=C/C)CN)=C(/C)NC
InChIInChI=1S/C12H22N4/c1-5-10(8-13)6-11(9(2)15-3)7-12(14)16-4/h5,7,15H,4,6,8,13-14H2,1-3H3/b10-5-,11-9+,12-7-
InChIKeyGAQGGZIWEWMOBO-RFJNWZHGSA-N
XLogP1.28
TPSA76.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.34
LogP ≤ 51.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E,2Z)-4-[(Z)-2-amino-2-(methylideneamino)ethenyl]-2-ethylidene-5-N-methylhex-4-ene-1,5-diamine?
The IUPAC name of (E,2Z)-4-[(Z)-2-amino-2-(methylideneamino)ethenyl]-2-ethylidene-5-N-methylhex-4-ene-1,5-diamine (CID 126675827) is (E,2Z)-4-[(Z)-2-amino-2-(methylideneamino)ethenyl]-2-ethylidene-5-N-methylhex-4-ene-1,5-diamine.
What is the SMILES notation for (E,2Z)-4-[(Z)-2-amino-2-(methylideneamino)ethenyl]-2-ethylidene-5-N-methylhex-4-ene-1,5-diamine?
The canonical SMILES for (E,2Z)-4-[(Z)-2-amino-2-(methylideneamino)ethenyl]-2-ethylidene-5-N-methylhex-4-ene-1,5-diamine is C=N/C(N)=C\C(C/C(=C/C)CN)=C(/C)NC.
What is the InChIKey of (E,2Z)-4-[(Z)-2-amino-2-(methylideneamino)ethenyl]-2-ethylidene-5-N-methylhex-4-ene-1,5-diamine?
The InChIKey is GAQGGZIWEWMOBO-RFJNWZHGSA-N. The full InChI is InChI=1S/C12H22N4/c1-5-10(8-13)6-11(9(2)15-3)7-12(14)16-4/h5,7,15H,4,6,8,13-14H2,1-3H3/b10-5-,11-9+,12-7-.
What are the key properties of (E,2Z)-4-[(Z)-2-amino-2-(methylideneamino)ethenyl]-2-ethylidene-5-N-methylhex-4-ene-1,5-diamine?
(E,2Z)-4-[(Z)-2-amino-2-(methylideneamino)ethenyl]-2-ethylidene-5-N-methylhex-4-ene-1,5-diamine has a molecular weight of 222.34 g/mol, XLogP of 1.28, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E,2Z)-4-[(Z)-2-amino-2-(methylideneamino)ethenyl]-2-ethylidene-5-N-methylhex-4-ene-1,5-diamine is sourced from PubChem (CID 126675827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).