ethane;(3E)-N,N,5-trimethyl-4-(2-methylhydrazinyl)hexa-3,5-dien-2-amine

C14H33N3 — CID 143501967

IUPACethane;(3E)-N,N,5-trimethyl-4-(2-methylhydrazinyl)hexa-3,5-dien-2-amine
SMILESC=C(C)/C(=C\C(C)N(C)C)NNC.CC.CC
InChIInChI=1S/C10H21N3.2C2H6/c1-8(2)10(12-11-4)7-9(3)13(5)6;2*1-2/h7,9,11-12H,1H2,2-6H3;2*1-2H3/b10-7+;;
InChIKeyQFZZREFGQOPVPZ-WRQJSNHTSA-N
MW243.44 g/mol
LogP3.17
Rot. Bonds5

About ethane;(3E)-N,N,5-trimethyl-4-(2-methylhydrazinyl)hexa-3,5-dien-2-amine

ethane;(3E)-N,N,5-trimethyl-4-(2-methylhydrazinyl)hexa-3,5-dien-2-amine (PubChem CID 143501967) has the molecular formula C14H33N3 and a molecular weight of 243.44 g/mol. Its IUPAC name is ethane;(3E)-N,N,5-trimethyl-4-(2-methylhydrazinyl)hexa-3,5-dien-2-amine.

Molecular Properties

Compound Nameethane;(3E)-N,N,5-trimethyl-4-(2-methylhydrazinyl)hexa-3,5-dien-2-amine
PubChem CID143501967
Molecular FormulaC14H33N3
Molecular Weight243.44 g/mol
Exact Mass243.27
IUPAC Nameethane;(3E)-N,N,5-trimethyl-4-(2-methylhydrazinyl)hexa-3,5-dien-2-amine
SMILESC=C(C)/C(=C\C(C)N(C)C)NNC.CC.CC
InChIInChI=1S/C10H21N3.2C2H6/c1-8(2)10(12-11-4)7-9(3)13(5)6;2*1-2/h7,9,11-12H,1H2,2-6H3;2*1-2H3/b10-7+;;
InChIKeyQFZZREFGQOPVPZ-WRQJSNHTSA-N
XLogP3.17
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.44
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2Z,4E,5Z)-7-[amino(methyl)amino]-4-ethylidene-N-methylnona-2,5-dien-5-amine
CID 118363217
(1Z,3E)-1-hydrazinyl-2-methyl-N,N-bis(prop-2-enyl)penta-1,3-dien-3-amine
CID 126678672
1-ethyl-1-methyl-2-[(2Z,5Z,7Z)-4-methylidenenona-2,5,7-trien-3-yl]hydrazine
CID 139479192
2-[(2E)-2-ethenylpenta-2,4-dienyl]-1-[(Z,2E)-2-ethylidene-3-methylpent-3-enyl]-1-[(2E,4Z)-hexa-2,4-dien-3-yl]hydrazine
CID 139542195
1,2-dimethyl-1-[(2Z)-4-methylpenta-2,4-dien-2-yl]hydrazine;ethane
CID 144233908
(3E)-5-hydrazinyl-1-N-methyl-2-methylidenehexa-3,5-diene-1,4-diamine
CID 145152765
[2-[[(1Z)-buta-1,3-dienyl]-(methylamino)amino]cyclohepta-1,3,6-trien-1-yl]methanamine
CID 155684855
1-[(2S)-butan-2-yl]-1-methyl-2-[(3Z)-3-methylpenta-1,3-dien-2-yl]hydrazine
CID 163804846
Amino-(3-amino-5-methylhepta-1,3,5-trien-4-yl)-butan-2-ylazanium
CID 163847346
methyl-bis(methylamino)-[(2Z,4E,6Z)-1-[methyl-bis(methylamino)azaniumyl]nona-2,4,6-trien-5-yl]azanium
CID 163939991
ethane;(2Z)-2-ethylidene-N,3-dimethylpyridin-1-amine
CID 166097117
(2Z)-N,3-dimethyl-2-propylidenepyridin-1-amine;ethane
CID 166097215

Frequently Asked Questions

What is the IUPAC name of ethane;(3E)-N,N,5-trimethyl-4-(2-methylhydrazinyl)hexa-3,5-dien-2-amine?
The IUPAC name of ethane;(3E)-N,N,5-trimethyl-4-(2-methylhydrazinyl)hexa-3,5-dien-2-amine (CID 143501967) is ethane;(3E)-N,N,5-trimethyl-4-(2-methylhydrazinyl)hexa-3,5-dien-2-amine.
What is the SMILES notation for ethane;(3E)-N,N,5-trimethyl-4-(2-methylhydrazinyl)hexa-3,5-dien-2-amine?
The canonical SMILES for ethane;(3E)-N,N,5-trimethyl-4-(2-methylhydrazinyl)hexa-3,5-dien-2-amine is C=C(C)/C(=C\C(C)N(C)C)NNC.CC.CC.
What is the InChIKey of ethane;(3E)-N,N,5-trimethyl-4-(2-methylhydrazinyl)hexa-3,5-dien-2-amine?
The InChIKey is QFZZREFGQOPVPZ-WRQJSNHTSA-N. The full InChI is InChI=1S/C10H21N3.2C2H6/c1-8(2)10(12-11-4)7-9(3)13(5)6;2*1-2/h7,9,11-12H,1H2,2-6H3;2*1-2H3/b10-7+;;.
What are the key properties of ethane;(3E)-N,N,5-trimethyl-4-(2-methylhydrazinyl)hexa-3,5-dien-2-amine?
ethane;(3E)-N,N,5-trimethyl-4-(2-methylhydrazinyl)hexa-3,5-dien-2-amine has a molecular weight of 243.44 g/mol, XLogP of 3.17, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(3E)-N,N,5-trimethyl-4-(2-methylhydrazinyl)hexa-3,5-dien-2-amine is sourced from PubChem (CID 143501967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).