7-(2,2-dimethylpropyl)-1H-1,4-diazepine

C10H16N2 — CID 129276531

IUPAC7-(2,2-dimethylpropyl)-1H-1,4-diazepine
SMILESCC(C)(C)CC1=CC=NC=CN1
InChIInChI=1S/C10H16N2/c1-10(2,3)8-9-4-5-11-6-7-12-9/h4-7,12H,8H2,1-3H3
InChIKeyGICOXWJJGUCKTE-UHFFFAOYSA-N
MW164.25 g/mol
LogP2.45
Rot. Bonds1

About 7-(2,2-dimethylpropyl)-1H-1,4-diazepine

7-(2,2-dimethylpropyl)-1H-1,4-diazepine (PubChem CID 129276531) has the molecular formula C10H16N2 and a molecular weight of 164.25 g/mol. Its IUPAC name is 7-(2,2-dimethylpropyl)-1H-1,4-diazepine.

Molecular Properties

Compound Name7-(2,2-dimethylpropyl)-1H-1,4-diazepine
PubChem CID129276531
Molecular FormulaC10H16N2
Molecular Weight164.25 g/mol
Exact Mass164.13
IUPAC Name7-(2,2-dimethylpropyl)-1H-1,4-diazepine
SMILESCC(C)(C)CC1=CC=NC=CN1
InChIInChI=1S/C10H16N2/c1-10(2,3)8-9-4-5-11-6-7-12-9/h4-7,12H,8H2,1-3H3
InChIKeyGICOXWJJGUCKTE-UHFFFAOYSA-N
XLogP2.45
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4,12-Diazatricyclo[7.5.0.01,5]tetradeca-2,5,7,9,11,13-hexaene
CID 20472065
(Z)-N-methyl-1-methyliminohex-2-en-3-amine
CID 88953346
7-tert-butyl-1H-1,4-diazepine
CID 126763111
6-(2,2-Dimethylpropyl)-1,2-dihydropyrimidine
CID 138580546
(Z)-N-methyl-4-(prop-2-enylideneamino)hex-4-en-2-amine
CID 141785733
N-methyl-3,4-dihydro-2H-azepin-5-amine
CID 142102774
(Z)-N-ethyl-2-[[(E)-4-methylpent-2-enylidene]amino]prop-1-en-1-amine
CID 142498983
N-methyl-4H-azepin-3-amine
CID 142969725
N-methyl-1-(4-methylazepin-4-yl)methanamine
CID 143058955
N-propyl-4H-azepin-5-amine
CID 143108221
ethane;N,5,5-trimethylazepin-3-amine
CID 144047861
N-[(E)-2-[(2-methylcyclohepta-1,5-dien-1-yl)methylideneamino]ethenyl]but-1-en-2-amine
CID 144222188

Frequently Asked Questions

What is the IUPAC name of 7-(2,2-dimethylpropyl)-1H-1,4-diazepine?
The IUPAC name of 7-(2,2-dimethylpropyl)-1H-1,4-diazepine (CID 129276531) is 7-(2,2-dimethylpropyl)-1H-1,4-diazepine.
What is the SMILES notation for 7-(2,2-dimethylpropyl)-1H-1,4-diazepine?
The canonical SMILES for 7-(2,2-dimethylpropyl)-1H-1,4-diazepine is CC(C)(C)CC1=CC=NC=CN1.
What is the InChIKey of 7-(2,2-dimethylpropyl)-1H-1,4-diazepine?
The InChIKey is GICOXWJJGUCKTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2/c1-10(2,3)8-9-4-5-11-6-7-12-9/h4-7,12H,8H2,1-3H3.
What are the key properties of 7-(2,2-dimethylpropyl)-1H-1,4-diazepine?
7-(2,2-dimethylpropyl)-1H-1,4-diazepine has a molecular weight of 164.25 g/mol, XLogP of 2.45, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2,2-dimethylpropyl)-1H-1,4-diazepine is sourced from PubChem (CID 129276531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).