ethane;1-methyl-7-methylidene-5,6-dihydro-4H-1,3-diazepine

C9H18N2 — CID 142224396

IUPACethane;1-methyl-7-methylidene-5,6-dihydro-4H-1,3-diazepine
SMILESC=C1CCCN=CN1C.CC
InChIInChI=1S/C7H12N2.C2H6/c1-7-4-3-5-8-6-9(7)2;1-2/h6H,1,3-5H2,2H3;1-2H3
InChIKeyANKWZNLJAZNLHX-UHFFFAOYSA-N
MW154.26 g/mol
LogP2.28
Rot. Bonds

About ethane;1-methyl-7-methylidene-5,6-dihydro-4H-1,3-diazepine

ethane;1-methyl-7-methylidene-5,6-dihydro-4H-1,3-diazepine (PubChem CID 142224396) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is ethane;1-methyl-7-methylidene-5,6-dihydro-4H-1,3-diazepine.

Molecular Properties

Compound Nameethane;1-methyl-7-methylidene-5,6-dihydro-4H-1,3-diazepine
PubChem CID142224396
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC Nameethane;1-methyl-7-methylidene-5,6-dihydro-4H-1,3-diazepine
SMILESC=C1CCCN=CN1C.CC
InChIInChI=1S/C7H12N2.C2H6/c1-7-4-3-5-8-6-9(7)2;1-2/h6H,1,3-5H2,2H3;1-2H3
InChIKeyANKWZNLJAZNLHX-UHFFFAOYSA-N
XLogP2.28
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,6,6-Trimethyl-7-methylidene-4,5-dihydro-1,3-diazepine
CID 57786356
But-1-en-2-yl-dimethyl-(methyliminomethyl)azanium
CID 123840682
N-methyl-1-(2-methylideneazepan-1-yl)methanimine
CID 132110114
N'-methyl-N-[5-(methylamino)pent-1-en-2-yl]methanimidamide
CID 143220525
2,3-dimethyl-7-methylidene-5,6-dihydro-4H-1,3-diazepine
CID 143829285
ethane;N'-methyl-N-prop-1-en-2-yl-N-propylmethanimidamide
CID 144135291
N,N'-dimethyl-N-(3-methylbut-1-en-2-yl)methanimidamide
CID 145257839
N'-but-1-en-2-yl-N-ethyl-N-methylmethanimidamide
CID 146389581
N-[5-(dimethylamino)pent-1-en-2-yl]-N'-methylmethanimidamide
CID 166987883
1-methyl-7-methylidene-5,6-dihydro-4H-1,3-diazepine
CID 142224397
N-but-1-en-2-yl-N,N'-dimethylmethanimidamide
CID 142934721
N'-methyl-N-prop-1-en-2-yl-N-propylmethanimidamide
CID 144135292

Frequently Asked Questions

What is the IUPAC name of ethane;1-methyl-7-methylidene-5,6-dihydro-4H-1,3-diazepine?
The IUPAC name of ethane;1-methyl-7-methylidene-5,6-dihydro-4H-1,3-diazepine (CID 142224396) is ethane;1-methyl-7-methylidene-5,6-dihydro-4H-1,3-diazepine.
What is the SMILES notation for ethane;1-methyl-7-methylidene-5,6-dihydro-4H-1,3-diazepine?
The canonical SMILES for ethane;1-methyl-7-methylidene-5,6-dihydro-4H-1,3-diazepine is C=C1CCCN=CN1C.CC.
What is the InChIKey of ethane;1-methyl-7-methylidene-5,6-dihydro-4H-1,3-diazepine?
The InChIKey is ANKWZNLJAZNLHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2.C2H6/c1-7-4-3-5-8-6-9(7)2;1-2/h6H,1,3-5H2,2H3;1-2H3.
What are the key properties of ethane;1-methyl-7-methylidene-5,6-dihydro-4H-1,3-diazepine?
ethane;1-methyl-7-methylidene-5,6-dihydro-4H-1,3-diazepine has a molecular weight of 154.26 g/mol, XLogP of 2.28, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-methyl-7-methylidene-5,6-dihydro-4H-1,3-diazepine is sourced from PubChem (CID 142224396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).