(3E)-2,5-dimethyl-N-(methylideneamino)hexa-1,3,5-trien-3-amine;ethane

C13H26N2 — CID 143256208

IUPAC(3E)-2,5-dimethyl-N-(methylideneamino)hexa-1,3,5-trien-3-amine;ethane
SMILESC=NN/C(=C/C(=C)C)C(=C)C.CC.CC
InChIInChI=1S/C9H14N2.2C2H6/c1-7(2)6-9(8(3)4)11-10-5;2*1-2/h6,11H,1,3,5H2,2,4H3;2*1-2H3/b9-6+;;
InChIKeyMNBOYNKCEPIULZ-SWSRPJROSA-N
MW210.36 g/mol
LogP4.28
Rot. Bonds4

About (3E)-2,5-dimethyl-N-(methylideneamino)hexa-1,3,5-trien-3-amine;ethane

(3E)-2,5-dimethyl-N-(methylideneamino)hexa-1,3,5-trien-3-amine;ethane (PubChem CID 143256208) has the molecular formula C13H26N2 and a molecular weight of 210.36 g/mol. Its IUPAC name is (3E)-2,5-dimethyl-N-(methylideneamino)hexa-1,3,5-trien-3-amine;ethane.

Molecular Properties

Compound Name(3E)-2,5-dimethyl-N-(methylideneamino)hexa-1,3,5-trien-3-amine;ethane
PubChem CID143256208
Molecular FormulaC13H26N2
Molecular Weight210.36 g/mol
Exact Mass210.21
IUPAC Name(3E)-2,5-dimethyl-N-(methylideneamino)hexa-1,3,5-trien-3-amine;ethane
SMILESC=NN/C(=C/C(=C)C)C(=C)C.CC.CC
InChIInChI=1S/C9H14N2.2C2H6/c1-7(2)6-9(8(3)4)11-10-5;2*1-2/h6,11H,1,3,5H2,2,4H3;2*1-2H3/b9-6+;;
InChIKeyMNBOYNKCEPIULZ-SWSRPJROSA-N
XLogP4.28
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.36
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(3E,5Z)-2-methyl-N-(methylideneamino)hepta-1,3,5-trien-3-amine
CID 88960569
(2E)-3,4-dimethyl-N-(methylideneamino)penta-2,4-dien-2-amine
CID 118550351
5-ethylidene-4-(3-methylpent-2-enylidene)-1H-pyrazole
CID 123972224
(2E,4Z)-N-[(Z)-ethylideneamino]-5,6-dimethylhepta-2,4,6-trien-2-amine
CID 124099629
(3Z,5Z)-N-[(Z)-ethylideneamino]-4,5-dimethylhepta-1,3,5-trien-2-amine
CID 124099712
[(2Z,4E)-3-methylhepta-2,4-dien-4-yl]hydrazine
CID 134448934
(Z)-4,4-dimethyl-N-(methylideneamino)pent-2-en-3-amine
CID 134464349
(4Z,6Z)-2,9-dimethyl-N-(methylideneamino)deca-2,4,6-trien-3-amine
CID 138656040
(3Z,6Z)-N-(3-methylbut-2-en-2-yl)-N-(methylideneamino)octa-1,3,6-trien-2-amine
CID 139373816
ethane;(Z)-N-(methylideneamino)pent-2-en-2-amine
CID 142941338
ethane;(3E)-2-methyl-5-methylidene-N-(methylideneamino)hepta-1,3-dien-4-amine
CID 143256655
(4E,5E)-4,5-di(ethylidene)-1H-pyrazole;ethane
CID 143482571

Frequently Asked Questions

What is the IUPAC name of (3E)-2,5-dimethyl-N-(methylideneamino)hexa-1,3,5-trien-3-amine;ethane?
The IUPAC name of (3E)-2,5-dimethyl-N-(methylideneamino)hexa-1,3,5-trien-3-amine;ethane (CID 143256208) is (3E)-2,5-dimethyl-N-(methylideneamino)hexa-1,3,5-trien-3-amine;ethane.
What is the SMILES notation for (3E)-2,5-dimethyl-N-(methylideneamino)hexa-1,3,5-trien-3-amine;ethane?
The canonical SMILES for (3E)-2,5-dimethyl-N-(methylideneamino)hexa-1,3,5-trien-3-amine;ethane is C=NN/C(=C/C(=C)C)C(=C)C.CC.CC.
What is the InChIKey of (3E)-2,5-dimethyl-N-(methylideneamino)hexa-1,3,5-trien-3-amine;ethane?
The InChIKey is MNBOYNKCEPIULZ-SWSRPJROSA-N. The full InChI is InChI=1S/C9H14N2.2C2H6/c1-7(2)6-9(8(3)4)11-10-5;2*1-2/h6,11H,1,3,5H2,2,4H3;2*1-2H3/b9-6+;;.
What are the key properties of (3E)-2,5-dimethyl-N-(methylideneamino)hexa-1,3,5-trien-3-amine;ethane?
(3E)-2,5-dimethyl-N-(methylideneamino)hexa-1,3,5-trien-3-amine;ethane has a molecular weight of 210.36 g/mol, XLogP of 4.28, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-2,5-dimethyl-N-(methylideneamino)hexa-1,3,5-trien-3-amine;ethane is sourced from PubChem (CID 143256208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).