1,5,5-trimethyl-2-methylidene-1,4-diazepine

C9H14N2 — CID 91336762

IUPAC1,5,5-trimethyl-2-methylidene-1,4-diazepine
SMILESC=C1C=NC(C)(C)C=CN1C
InChIInChI=1S/C9H14N2/c1-8-7-10-9(2,3)5-6-11(8)4/h5-7H,1H2,2-4H3
InChIKeyHVEABCXDAAYHNM-UHFFFAOYSA-N
MW150.22 g/mol
LogP1.81
Rot. Bonds

About 1,5,5-trimethyl-2-methylidene-1,4-diazepine

1,5,5-trimethyl-2-methylidene-1,4-diazepine (PubChem CID 91336762) has the molecular formula C9H14N2 and a molecular weight of 150.22 g/mol. Its IUPAC name is 1,5,5-trimethyl-2-methylidene-1,4-diazepine.

Molecular Properties

Compound Name1,5,5-trimethyl-2-methylidene-1,4-diazepine
PubChem CID91336762
Molecular FormulaC9H14N2
Molecular Weight150.22 g/mol
Exact Mass150.12
IUPAC Name1,5,5-trimethyl-2-methylidene-1,4-diazepine
SMILESC=C1C=NC(C)(C)C=CN1C
InChIInChI=1S/C9H14N2/c1-8-7-10-9(2,3)5-6-11(8)4/h5-7H,1H2,2-4H3
InChIKeyHVEABCXDAAYHNM-UHFFFAOYSA-N
XLogP1.81
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-Propan-2-yl-1,4-diazacyclohepta-2,3,5,7-tetraene
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3-Methyl-1,9-diazabicyclo[5.4.0]undeca-2,5,6,8,10-pentaene
CID 130242135
N,N,5,5-tetramethylazepin-3-amine
CID 144047772
1,5,5-trimethyl-2H-1,4-diazepine
CID 144544198
N,N,4-trimethylazepin-4-amine
CID 144888138
1,2,2,5-tetramethyl-5H-1,4-diazepine
CID 155054314
1-Tert-butyl-1,4-diazepine
CID 156354122
1-Tert-butyl-1,4-diazepine;ethane
CID 161809639
CID 170954204
CID 170954204
N-methyl-3-methylimino-N-[(Z)-prop-1-enyl]prop-1-en-2-amine
CID 143565430
1-ethyl-5-methyl-2-propan-2-ylidene-5H-1,4-diazepine
CID 170954205

Frequently Asked Questions

What is the IUPAC name of 1,5,5-trimethyl-2-methylidene-1,4-diazepine?
The IUPAC name of 1,5,5-trimethyl-2-methylidene-1,4-diazepine (CID 91336762) is 1,5,5-trimethyl-2-methylidene-1,4-diazepine.
What is the SMILES notation for 1,5,5-trimethyl-2-methylidene-1,4-diazepine?
The canonical SMILES for 1,5,5-trimethyl-2-methylidene-1,4-diazepine is C=C1C=NC(C)(C)C=CN1C.
What is the InChIKey of 1,5,5-trimethyl-2-methylidene-1,4-diazepine?
The InChIKey is HVEABCXDAAYHNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2/c1-8-7-10-9(2,3)5-6-11(8)4/h5-7H,1H2,2-4H3.
What are the key properties of 1,5,5-trimethyl-2-methylidene-1,4-diazepine?
1,5,5-trimethyl-2-methylidene-1,4-diazepine has a molecular weight of 150.22 g/mol, XLogP of 1.81, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5,5-trimethyl-2-methylidene-1,4-diazepine is sourced from PubChem (CID 91336762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).