5,5-dimethyl-1,3-diazepin-2-amine

C7H11N3 — CID 123556057

IUPAC5,5-dimethyl-1,3-diazepin-2-amine
SMILESCC1(C)C=CN=C(N)N=C1
InChIInChI=1S/C7H11N3/c1-7(2)3-4-9-6(8)10-5-7/h3-5H,1-2H3,(H2,8,9)
InChIKeySEHQGBSIQMGXQO-UHFFFAOYSA-N
MW137.19 g/mol
LogP0.93
Rot. Bonds

About 5,5-dimethyl-1,3-diazepin-2-amine

5,5-dimethyl-1,3-diazepin-2-amine (PubChem CID 123556057) has the molecular formula C7H11N3 and a molecular weight of 137.19 g/mol. Its IUPAC name is 5,5-dimethyl-1,3-diazepin-2-amine.

Molecular Properties

Compound Name5,5-dimethyl-1,3-diazepin-2-amine
PubChem CID123556057
Molecular FormulaC7H11N3
Molecular Weight137.19 g/mol
Exact Mass137.10
IUPAC Name5,5-dimethyl-1,3-diazepin-2-amine
SMILESCC1(C)C=CN=C(N)N=C1
InChIInChI=1S/C7H11N3/c1-7(2)3-4-9-6(8)10-5-7/h3-5H,1-2H3,(H2,8,9)
InChIKeySEHQGBSIQMGXQO-UHFFFAOYSA-N
XLogP0.93
TPSA50.74 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.19
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(5S)-5-fluoro-5-methyl-1,3-diazepine
CID 145348431
5H-1,3-diazepin-2-amine
CID 54203326
5-Ethyl-5-methyl-1,3-diazepine
CID 68363216
3,3-Dimethylpyrrol-2-amine
CID 69479039
5,5-Dimethyl-1,3-diazepine
CID 89049693
2-Chloro-5,5-dimethyl-1,3-diazepine
CID 123165665
2,5,5-Trimethyl-1,3-diazepine
CID 123614796
5-methyl-5H-1,3-diazepine
CID 137447391
5-Methyl-1,3-diazepin-5-amine
CID 139400361
(5S)-5-methyl-5H-1,3-diazepine
CID 142351675
(Z)-N'-ethylidene-2,2-dimethylbut-3-ene-1,4-diimine
CID 142494693
1,5,5-Trimethyl-1,3-diazepin-1-ium
CID 145003298

Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-1,3-diazepin-2-amine?
The IUPAC name of 5,5-dimethyl-1,3-diazepin-2-amine (CID 123556057) is 5,5-dimethyl-1,3-diazepin-2-amine.
What is the SMILES notation for 5,5-dimethyl-1,3-diazepin-2-amine?
The canonical SMILES for 5,5-dimethyl-1,3-diazepin-2-amine is CC1(C)C=CN=C(N)N=C1.
What is the InChIKey of 5,5-dimethyl-1,3-diazepin-2-amine?
The InChIKey is SEHQGBSIQMGXQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3/c1-7(2)3-4-9-6(8)10-5-7/h3-5H,1-2H3,(H2,8,9).
What are the key properties of 5,5-dimethyl-1,3-diazepin-2-amine?
5,5-dimethyl-1,3-diazepin-2-amine has a molecular weight of 137.19 g/mol, XLogP of 0.93, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-1,3-diazepin-2-amine is sourced from PubChem (CID 123556057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).