3-methyl-7-propan-2-yl-3H-diazepine

C9H14N2 — CID 163298604

IUPAC3-methyl-7-propan-2-yl-3H-diazepine
SMILESCC1C=CC=C(C(C)C)N=N1
InChIInChI=1S/C9H14N2/c1-7(2)9-6-4-5-8(3)10-11-9/h4-8H,1-3H3
InChIKeySZLRJGOZSUHZRF-UHFFFAOYSA-N
MW150.22 g/mol
LogP2.94
Rot. Bonds1

About 3-methyl-7-propan-2-yl-3H-diazepine

3-methyl-7-propan-2-yl-3H-diazepine (PubChem CID 163298604) has the molecular formula C9H14N2 and a molecular weight of 150.22 g/mol. Its IUPAC name is 3-methyl-7-propan-2-yl-3H-diazepine.

Molecular Properties

Compound Name3-methyl-7-propan-2-yl-3H-diazepine
PubChem CID163298604
Molecular FormulaC9H14N2
Molecular Weight150.22 g/mol
Exact Mass150.12
IUPAC Name3-methyl-7-propan-2-yl-3H-diazepine
SMILESCC1C=CC=C(C(C)C)N=N1
InChIInChI=1S/C9H14N2/c1-7(2)9-6-4-5-8(3)10-11-9/h4-8H,1-3H3
InChIKeySZLRJGOZSUHZRF-UHFFFAOYSA-N
XLogP2.94
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5,7-Dimethyl-3h-[1,2]diazepine
CID 15619251
3,5,7-Trimethyl-3H-1,2-diazepine
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3,5-dimethyl-7-propan-2-yl-3H-diazepine
CID 45096244
5,7-dimethyl-3-propan-2-yl-3H-diazepine
CID 45096252
3,7-Diethyl-5-methyl-1,2(4H)-diazepine
CID 557158
7-ethyl-3H-diazepine
CID 68405229
3-Propylidenediazepine
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(3E,4Z)-3,4-di(ethylidene)pyridazine
CID 88861141
methyl-[(3Z,6Z)-5-methylocta-1,3,6-trien-2-yl]diazene
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4-Azido-2-methylcyclohepta-1,3,5-triene
CID 90222154
3-Ethylidene-4-(2-methylbut-2-enylidene)pyridazine
CID 90967966
(3E,4Z)-4-(2-methylprop-2-enylidene)-3-propylidenepyridazine
CID 117904072

Frequently Asked Questions

What is the IUPAC name of 3-methyl-7-propan-2-yl-3H-diazepine?
The IUPAC name of 3-methyl-7-propan-2-yl-3H-diazepine (CID 163298604) is 3-methyl-7-propan-2-yl-3H-diazepine.
What is the SMILES notation for 3-methyl-7-propan-2-yl-3H-diazepine?
The canonical SMILES for 3-methyl-7-propan-2-yl-3H-diazepine is CC1C=CC=C(C(C)C)N=N1.
What is the InChIKey of 3-methyl-7-propan-2-yl-3H-diazepine?
The InChIKey is SZLRJGOZSUHZRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2/c1-7(2)9-6-4-5-8(3)10-11-9/h4-8H,1-3H3.
What are the key properties of 3-methyl-7-propan-2-yl-3H-diazepine?
3-methyl-7-propan-2-yl-3H-diazepine has a molecular weight of 150.22 g/mol, XLogP of 2.94, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-7-propan-2-yl-3H-diazepine is sourced from PubChem (CID 163298604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).