ethane;(3E)-2-methyl-5-methylidene-N-(methylideneamino)hepta-1,3-dien-4-amine

C12H22N2 — CID 143256655

IUPACethane;(3E)-2-methyl-5-methylidene-N-(methylideneamino)hepta-1,3-dien-4-amine
SMILESC=NN/C(=C/C(=C)C)C(=C)CC.CC
InChIInChI=1S/C10H16N2.C2H6/c1-6-9(4)10(12-11-5)7-8(2)3;1-2/h7,12H,2,4-6H2,1,3H3;1-2H3/b10-7+;
InChIKeyAZDFOCNOPDXRPF-HCUGZAAXSA-N
MW194.32 g/mol
LogP3.64
Rot. Bonds5

About ethane;(3E)-2-methyl-5-methylidene-N-(methylideneamino)hepta-1,3-dien-4-amine

ethane;(3E)-2-methyl-5-methylidene-N-(methylideneamino)hepta-1,3-dien-4-amine (PubChem CID 143256655) has the molecular formula C12H22N2 and a molecular weight of 194.32 g/mol. Its IUPAC name is ethane;(3E)-2-methyl-5-methylidene-N-(methylideneamino)hepta-1,3-dien-4-amine.

Molecular Properties

Compound Nameethane;(3E)-2-methyl-5-methylidene-N-(methylideneamino)hepta-1,3-dien-4-amine
PubChem CID143256655
Molecular FormulaC12H22N2
Molecular Weight194.32 g/mol
Exact Mass194.18
IUPAC Nameethane;(3E)-2-methyl-5-methylidene-N-(methylideneamino)hepta-1,3-dien-4-amine
SMILESC=NN/C(=C/C(=C)C)C(=C)CC.CC
InChIInChI=1S/C10H16N2.C2H6/c1-6-9(4)10(12-11-5)7-8(2)3;1-2/h7,12H,2,4-6H2,1,3H3;1-2H3/b10-7+;
InChIKeyAZDFOCNOPDXRPF-HCUGZAAXSA-N
XLogP3.64
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 53.64
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
(Z)-5-methyl-N-(methylideneamino)hex-2-en-3-amine
CID 130420768
(4Z,6Z)-2,9-dimethyl-N-(methylideneamino)deca-2,4,6-trien-3-amine
CID 138656040
[(3E)-3-[(Z)-but-2-en-2-yl]hexa-1,3,5-trien-2-yl]hydrazine
CID 141782142
(3E)-2,5-dimethyl-N-(methylideneamino)hexa-1,3,5-trien-3-amine;ethane
CID 143256208
(3E,5Z)-3,5-dimethyl-N-(methylideneamino)hepta-1,3,5-trien-4-amine
CID 143841641
(4E)-N-[(Z)-ethylideneamino]-5-methyl-3-methylideneocta-1,4-dien-2-amine
CID 144160147
(2Z,4E)-3-ethyl-N-methyl-6-methylidene-N-(methylideneamino)octa-2,4-dien-4-amine
CID 145404879
(4E,6Z)-2,5-dimethyl-N-(methylideneamino)octa-2,4,6-trien-4-amine
CID 147333916
(3Z)-4,7-dimethyl-N-(methylideneamino)octa-1,3-dien-2-amine
CID 155324078
ethane;(3E)-N-(methylideneamino)hexa-3,5-dien-3-amine
CID 156817521

Frequently Asked Questions

What is the IUPAC name of ethane;(3E)-2-methyl-5-methylidene-N-(methylideneamino)hepta-1,3-dien-4-amine?
The IUPAC name of ethane;(3E)-2-methyl-5-methylidene-N-(methylideneamino)hepta-1,3-dien-4-amine (CID 143256655) is ethane;(3E)-2-methyl-5-methylidene-N-(methylideneamino)hepta-1,3-dien-4-amine.
What is the SMILES notation for ethane;(3E)-2-methyl-5-methylidene-N-(methylideneamino)hepta-1,3-dien-4-amine?
The canonical SMILES for ethane;(3E)-2-methyl-5-methylidene-N-(methylideneamino)hepta-1,3-dien-4-amine is C=NN/C(=C/C(=C)C)C(=C)CC.CC.
What is the InChIKey of ethane;(3E)-2-methyl-5-methylidene-N-(methylideneamino)hepta-1,3-dien-4-amine?
The InChIKey is AZDFOCNOPDXRPF-HCUGZAAXSA-N. The full InChI is InChI=1S/C10H16N2.C2H6/c1-6-9(4)10(12-11-5)7-8(2)3;1-2/h7,12H,2,4-6H2,1,3H3;1-2H3/b10-7+;.
What are the key properties of ethane;(3E)-2-methyl-5-methylidene-N-(methylideneamino)hepta-1,3-dien-4-amine?
ethane;(3E)-2-methyl-5-methylidene-N-(methylideneamino)hepta-1,3-dien-4-amine has a molecular weight of 194.32 g/mol, XLogP of 3.64, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(3E)-2-methyl-5-methylidene-N-(methylideneamino)hepta-1,3-dien-4-amine is sourced from PubChem (CID 143256655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).