3,4-dimethyl-2,7-dihydroazepin-1-amine;ethane

C12H26N2 — CID 142250956

IUPAC3,4-dimethyl-2,7-dihydroazepin-1-amine;ethane
SMILESCC.CC.CC1=C(C)CN(N)CC=C1
InChIInChI=1S/C8H14N2.2C2H6/c1-7-4-3-5-10(9)6-8(7)2;2*1-2/h3-4H,5-6,9H2,1-2H3;2*1-2H3
InChIKeyVYPMQYVUSNVIMD-UHFFFAOYSA-N
MW198.35 g/mol
LogP3.12
Rot. Bonds

About 3,4-dimethyl-2,7-dihydroazepin-1-amine;ethane

3,4-dimethyl-2,7-dihydroazepin-1-amine;ethane (PubChem CID 142250956) has the molecular formula C12H26N2 and a molecular weight of 198.35 g/mol. Its IUPAC name is 3,4-dimethyl-2,7-dihydroazepin-1-amine;ethane.

Molecular Properties

Compound Name3,4-dimethyl-2,7-dihydroazepin-1-amine;ethane
PubChem CID142250956
Molecular FormulaC12H26N2
Molecular Weight198.35 g/mol
Exact Mass198.21
IUPAC Name3,4-dimethyl-2,7-dihydroazepin-1-amine;ethane
SMILESCC.CC.CC1=C(C)CN(N)CC=C1
InChIInChI=1S/C8H14N2.2C2H6/c1-7-4-3-5-10(9)6-8(7)2;2*1-2/h3-4H,5-6,9H2,1-2H3;2*1-2H3
InChIKeyVYPMQYVUSNVIMD-UHFFFAOYSA-N
XLogP3.12
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}

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Related Compounds

1-[(1R)-1-cyclohexa-1,5-dien-1-ylethyl]-1-methylhydrazine
CID 89365387
(3E)-3-[(Z)-but-2-enylidene]-4-methylidenepyrrolidin-1-amine
CID 117646621
1-(2-methylprop-2-enyl)-1-[(E)-pent-2-enyl]hydrazine
CID 117960577
1-(Cyclohexa-1,5-dien-1-ylmethyl)-1-methylhydrazine
CID 118548974
1-Methyl-1-[(3-methylcyclohexa-1,5-dien-1-yl)methyl]hydrazine
CID 121356784
2-[(3,3-Dimethylcyclohepta-1,4,6-trien-1-yl)methyl]-1,1-dimethylhydrazine
CID 123223270
1-(3-Ethenylhept-3-en-2-yl)-1-methylhydrazine
CID 123250175
1,1-Bis(2-methylidenepent-3-enyl)-2-prop-2-enylhydrazine
CID 123543479
1-ethyl-1-[(3E,4Z)-4-methyl-3-prop-2-enylidenehepta-4,6-dien-2-yl]hydrazine
CID 126712198
1-ethyl-2,2-dimethyl-1-[(3E)-3-methylhexa-3,5-dienyl]hydrazine
CID 129042943
1-[(2Z)-3-ethylpenta-2,4-dienyl]-1,2-dimethylhydrazine
CID 138702942
1-[(Z,2E)-2-ethylidenehex-3-enyl]-1-[(Z,2E)-2-ethylidene-3-methylpent-3-enyl]-2-[(2E)-2-ethylpenta-2,4-dienyl]hydrazine
CID 139542118

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-2,7-dihydroazepin-1-amine;ethane?
The IUPAC name of 3,4-dimethyl-2,7-dihydroazepin-1-amine;ethane (CID 142250956) is 3,4-dimethyl-2,7-dihydroazepin-1-amine;ethane.
What is the SMILES notation for 3,4-dimethyl-2,7-dihydroazepin-1-amine;ethane?
The canonical SMILES for 3,4-dimethyl-2,7-dihydroazepin-1-amine;ethane is CC.CC.CC1=C(C)CN(N)CC=C1.
What is the InChIKey of 3,4-dimethyl-2,7-dihydroazepin-1-amine;ethane?
The InChIKey is VYPMQYVUSNVIMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2.2C2H6/c1-7-4-3-5-10(9)6-8(7)2;2*1-2/h3-4H,5-6,9H2,1-2H3;2*1-2H3.
What are the key properties of 3,4-dimethyl-2,7-dihydroazepin-1-amine;ethane?
3,4-dimethyl-2,7-dihydroazepin-1-amine;ethane has a molecular weight of 198.35 g/mol, XLogP of 3.12, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-2,7-dihydroazepin-1-amine;ethane is sourced from PubChem (CID 142250956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).