2,3,6-trimethyl-7-propan-2-yl-4,5-dihydro-1,3-diazepine

C11H20N2 — CID 172627849

IUPAC2,3,6-trimethyl-7-propan-2-yl-4,5-dihydro-1,3-diazepine
SMILESCC1=NC(C(C)C)=C(C)CCN1C
InChIInChI=1S/C11H20N2/c1-8(2)11-9(3)6-7-13(5)10(4)12-11/h8H,6-7H2,1-5H3
InChIKeyZGNYDCMFFMMMRP-UHFFFAOYSA-N
MW180.29 g/mol
LogP2.67
Rot. Bonds1

About 2,3,6-trimethyl-7-propan-2-yl-4,5-dihydro-1,3-diazepine

2,3,6-trimethyl-7-propan-2-yl-4,5-dihydro-1,3-diazepine (PubChem CID 172627849) has the molecular formula C11H20N2 and a molecular weight of 180.29 g/mol. Its IUPAC name is 2,3,6-trimethyl-7-propan-2-yl-4,5-dihydro-1,3-diazepine.

Molecular Properties

Compound Name2,3,6-trimethyl-7-propan-2-yl-4,5-dihydro-1,3-diazepine
PubChem CID172627849
Molecular FormulaC11H20N2
Molecular Weight180.29 g/mol
Exact Mass180.16
IUPAC Name2,3,6-trimethyl-7-propan-2-yl-4,5-dihydro-1,3-diazepine
SMILESCC1=NC(C(C)C)=C(C)CCN1C
InChIInChI=1S/C11H20N2/c1-8(2)11-9(3)6-7-13(5)10(4)12-11/h8H,6-7H2,1-5H3
InChIKeyZGNYDCMFFMMMRP-UHFFFAOYSA-N
XLogP2.67
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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2,3,4,5,6-pentamethyl-4H-pyrimidine
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6-ethyl-2,3,4,5-tetramethyl-4H-pyrimidine
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N'-(2,4-dimethylpent-2-en-3-yl)-N,N,2-trimethylpropanimidamide
CID 169991234
N'-(2,4-dimethylhex-3-en-3-yl)-N,N-dimethylethanimidamide;ethane
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N'-(2,4-dimethylhex-3-en-3-yl)-N,N-dimethylethanimidamide
CID 172628055
1,2,5-Triethyl-1,4-dimethylimidazol-1-ium
CID 175255699

Frequently Asked Questions

What is the IUPAC name of 2,3,6-trimethyl-7-propan-2-yl-4,5-dihydro-1,3-diazepine?
The IUPAC name of 2,3,6-trimethyl-7-propan-2-yl-4,5-dihydro-1,3-diazepine (CID 172627849) is 2,3,6-trimethyl-7-propan-2-yl-4,5-dihydro-1,3-diazepine.
What is the SMILES notation for 2,3,6-trimethyl-7-propan-2-yl-4,5-dihydro-1,3-diazepine?
The canonical SMILES for 2,3,6-trimethyl-7-propan-2-yl-4,5-dihydro-1,3-diazepine is CC1=NC(C(C)C)=C(C)CCN1C.
What is the InChIKey of 2,3,6-trimethyl-7-propan-2-yl-4,5-dihydro-1,3-diazepine?
The InChIKey is ZGNYDCMFFMMMRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2/c1-8(2)11-9(3)6-7-13(5)10(4)12-11/h8H,6-7H2,1-5H3.
What are the key properties of 2,3,6-trimethyl-7-propan-2-yl-4,5-dihydro-1,3-diazepine?
2,3,6-trimethyl-7-propan-2-yl-4,5-dihydro-1,3-diazepine has a molecular weight of 180.29 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 2,3,6-trimethyl-7-propan-2-yl-4,5-dihydro-1,3-diazepine is sourced from PubChem (CID 172627849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).