5,5-dimethyl-2-propan-2-yl-1,3-diazepine

C10H16N2 — CID 142544793

IUPAC5,5-dimethyl-2-propan-2-yl-1,3-diazepine
SMILESCC(C)C1=NC=CC(C)(C)C=N1
InChIInChI=1S/C10H16N2/c1-8(2)9-11-6-5-10(3,4)7-12-9/h5-8H,1-4H3
InChIKeyFKYMCGAZBZXBGP-UHFFFAOYSA-N
MW164.25 g/mol
LogP2.67
Rot. Bonds1

About 5,5-dimethyl-2-propan-2-yl-1,3-diazepine

5,5-dimethyl-2-propan-2-yl-1,3-diazepine (PubChem CID 142544793) has the molecular formula C10H16N2 and a molecular weight of 164.25 g/mol. Its IUPAC name is 5,5-dimethyl-2-propan-2-yl-1,3-diazepine.

Molecular Properties

Compound Name5,5-dimethyl-2-propan-2-yl-1,3-diazepine
PubChem CID142544793
Molecular FormulaC10H16N2
Molecular Weight164.25 g/mol
Exact Mass164.13
IUPAC Name5,5-dimethyl-2-propan-2-yl-1,3-diazepine
SMILESCC(C)C1=NC=CC(C)(C)C=N1
InChIInChI=1S/C10H16N2/c1-8(2)9-11-6-5-10(3,4)7-12-9/h5-8H,1-4H3
InChIKeyFKYMCGAZBZXBGP-UHFFFAOYSA-N
XLogP2.67
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,5-Dimethyl-5-(trifluoromethyl)-1,3-diazepine
CID 142253947
N-[(Z)-3,3-dimethylbut-1-enyl]-2-methylpropan-1-imine
CID 59848843
N'-ethenyl-N-ethylidene-2,2-dimethylpropanimidamide
CID 88949136
5,5-Dimethyl-1,3-diazepine
CID 89049693
2,5-Ditert-butyl-5-methyl-1,3-diazepine
CID 90949983
5-Methyl-5-propan-2-yl-1,3-diazepine
CID 123137802
2,5,5-Trimethyl-1,3-diazepine
CID 123614796
2-methyl-5H-1,3-diazepine
CID 123843433
N'-ethenyl-2,2-dimethyl-N-prop-2-enylidenepropanimidamide
CID 126693281
N-ethylidene-2-methyl-N'-[(Z)-prop-1-enyl]propanimidamide
CID 130233735
5-methyl-5H-1,3-diazepine
CID 137447391
ethane;2-methyl-5H-1,3-diazepine
CID 141779059

Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-2-propan-2-yl-1,3-diazepine?
The IUPAC name of 5,5-dimethyl-2-propan-2-yl-1,3-diazepine (CID 142544793) is 5,5-dimethyl-2-propan-2-yl-1,3-diazepine.
What is the SMILES notation for 5,5-dimethyl-2-propan-2-yl-1,3-diazepine?
The canonical SMILES for 5,5-dimethyl-2-propan-2-yl-1,3-diazepine is CC(C)C1=NC=CC(C)(C)C=N1.
What is the InChIKey of 5,5-dimethyl-2-propan-2-yl-1,3-diazepine?
The InChIKey is FKYMCGAZBZXBGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2/c1-8(2)9-11-6-5-10(3,4)7-12-9/h5-8H,1-4H3.
What are the key properties of 5,5-dimethyl-2-propan-2-yl-1,3-diazepine?
5,5-dimethyl-2-propan-2-yl-1,3-diazepine has a molecular weight of 164.25 g/mol, XLogP of 2.67, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-2-propan-2-yl-1,3-diazepine is sourced from PubChem (CID 142544793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).