1-[1-(1,4-dimethylcyclohexa-2,4-dien-1-yl)butan-2-yl]-1,2-dimethylhydrazine;ethane

C16H32N2 — CID 156743346

IUPAC1-[1-(1,4-dimethylcyclohexa-2,4-dien-1-yl)butan-2-yl]-1,2-dimethylhydrazine;ethane
SMILESCC.CCC(CC1(C)C=CC(C)=CC1)N(C)NC
InChIInChI=1S/C14H26N2.C2H6/c1-6-13(16(5)15-4)11-14(3)9-7-12(2)8-10-14;1-2/h7-9,13,15H,6,10-11H2,1-5H3;1-2H3
InChIKeyPAUBAEWVRAVTOW-UHFFFAOYSA-N
MW252.45 g/mol
LogP4.16
Rot. Bonds5

About 1-[1-(1,4-dimethylcyclohexa-2,4-dien-1-yl)butan-2-yl]-1,2-dimethylhydrazine;ethane

1-[1-(1,4-dimethylcyclohexa-2,4-dien-1-yl)butan-2-yl]-1,2-dimethylhydrazine;ethane (PubChem CID 156743346) has the molecular formula C16H32N2 and a molecular weight of 252.45 g/mol. Its IUPAC name is 1-[1-(1,4-dimethylcyclohexa-2,4-dien-1-yl)butan-2-yl]-1,2-dimethylhydrazine;ethane.

Molecular Properties

Compound Name1-[1-(1,4-dimethylcyclohexa-2,4-dien-1-yl)butan-2-yl]-1,2-dimethylhydrazine;ethane
PubChem CID156743346
Molecular FormulaC16H32N2
Molecular Weight252.45 g/mol
Exact Mass252.26
IUPAC Name1-[1-(1,4-dimethylcyclohexa-2,4-dien-1-yl)butan-2-yl]-1,2-dimethylhydrazine;ethane
SMILESCC.CCC(CC1(C)C=CC(C)=CC1)N(C)NC
InChIInChI=1S/C14H26N2.C2H6/c1-6-13(16(5)15-4)11-14(3)9-7-12(2)8-10-14;1-2/h7-9,13,15H,6,10-11H2,1-5H3;1-2H3
InChIKeyPAUBAEWVRAVTOW-UHFFFAOYSA-N
XLogP4.16
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.45
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[2,2-Dimethyl-1-(5-methylcyclohexa-1,3-dien-1-yl)propyl]-1-methylhydrazine
CID 123200969
(2Z)-6-ethyl-6-methyl-3-(methylaminomethyl)-4-[(Z)-prop-1-enyl]-2-propylidenecyclohex-3-en-1-amine
CID 134173718
[4-Tert-butyl-6-(2,2-dimethylpentan-3-yl)cyclohexa-2,4-dien-1-yl]hydrazine
CID 139442597
(2R)-3,3-dimethyl-2-[(4-methylcyclohepta-1,4,6-trien-1-yl)methyl]-4-methylidenepiperidin-1-amine;ethane
CID 141860440
1,2-Dimethyl-1-(5-methylspiro[2.5]oct-5-en-8-yl)hydrazine
CID 142964487
1-[(2Z)-7,7-dimethylcyclonon-2-en-1-yl]-1,2-dimethylhydrazine
CID 146259463
decane;1-decyl-2-dodecyl-1-hept-6-enylhydrazine;(3Z)-3,5-diethyl-4-methylocta-1,3-diene;ethane;1-ethylcyclohexa-1,3-diene;(3Z,5Z)-5-methylhepta-1,3,5-triene;propane
CID 156650861
[(4S)-2,8-dimethyl-3-[(1Z)-3-methylbuta-1,3-dienyl]-8-azaspiro[4.5]dec-2-en-4-yl]hydrazine
CID 169934420
(2R)-3,3-dimethyl-2-[(4-methylcyclohepta-1,4,6-trien-1-yl)methyl]-4-methylidenepiperidin-1-amine
CID 141860441
1-[1-(1,4-Dimethylcyclohexa-2,4-dien-1-yl)butan-2-yl]-1,2-dimethylhydrazine
CID 156743347

Frequently Asked Questions

What is the IUPAC name of 1-[1-(1,4-dimethylcyclohexa-2,4-dien-1-yl)butan-2-yl]-1,2-dimethylhydrazine;ethane?
The IUPAC name of 1-[1-(1,4-dimethylcyclohexa-2,4-dien-1-yl)butan-2-yl]-1,2-dimethylhydrazine;ethane (CID 156743346) is 1-[1-(1,4-dimethylcyclohexa-2,4-dien-1-yl)butan-2-yl]-1,2-dimethylhydrazine;ethane.
What is the SMILES notation for 1-[1-(1,4-dimethylcyclohexa-2,4-dien-1-yl)butan-2-yl]-1,2-dimethylhydrazine;ethane?
The canonical SMILES for 1-[1-(1,4-dimethylcyclohexa-2,4-dien-1-yl)butan-2-yl]-1,2-dimethylhydrazine;ethane is CC.CCC(CC1(C)C=CC(C)=CC1)N(C)NC.
What is the InChIKey of 1-[1-(1,4-dimethylcyclohexa-2,4-dien-1-yl)butan-2-yl]-1,2-dimethylhydrazine;ethane?
The InChIKey is PAUBAEWVRAVTOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2.C2H6/c1-6-13(16(5)15-4)11-14(3)9-7-12(2)8-10-14;1-2/h7-9,13,15H,6,10-11H2,1-5H3;1-2H3.
What are the key properties of 1-[1-(1,4-dimethylcyclohexa-2,4-dien-1-yl)butan-2-yl]-1,2-dimethylhydrazine;ethane?
1-[1-(1,4-dimethylcyclohexa-2,4-dien-1-yl)butan-2-yl]-1,2-dimethylhydrazine;ethane has a molecular weight of 252.45 g/mol, XLogP of 4.16, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(1,4-dimethylcyclohexa-2,4-dien-1-yl)butan-2-yl]-1,2-dimethylhydrazine;ethane is sourced from PubChem (CID 156743346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).