4,4,6-trimethyl-1,3-diazepin-2-amine

C8H13N3 — CID 143578146

IUPAC4,4,6-trimethyl-1,3-diazepin-2-amine
SMILESCC1=CC(C)(C)N=C(N)N=C1
InChIInChI=1S/C8H13N3/c1-6-4-8(2,3)11-7(9)10-5-6/h4-5H,1-3H3,(H2,9,11)
InChIKeyYLYOOUQMNHYNGO-UHFFFAOYSA-N
MW151.21 g/mol
LogP1.11
Rot. Bonds

About 4,4,6-trimethyl-1,3-diazepin-2-amine

4,4,6-trimethyl-1,3-diazepin-2-amine (PubChem CID 143578146) has the molecular formula C8H13N3 and a molecular weight of 151.21 g/mol. Its IUPAC name is 4,4,6-trimethyl-1,3-diazepin-2-amine.

Molecular Properties

Compound Name4,4,6-trimethyl-1,3-diazepin-2-amine
PubChem CID143578146
Molecular FormulaC8H13N3
Molecular Weight151.21 g/mol
Exact Mass151.11
IUPAC Name4,4,6-trimethyl-1,3-diazepin-2-amine
SMILESCC1=CC(C)(C)N=C(N)N=C1
InChIInChI=1S/C8H13N3/c1-6-4-8(2,3)11-7(9)10-5-6/h4-5H,1-3H3,(H2,9,11)
InChIKeyYLYOOUQMNHYNGO-UHFFFAOYSA-N
XLogP1.11
TPSA50.74 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-Fluoro-4-methyl-6-propan-2-yl-1,3-diazepine
CID 144503649
N-[(Z)-2,4-dimethylpent-2-enylidene]methanimidamide
CID 126635836
4-methyl-6-propan-2-yl-4H-1,3-diazepine
CID 129200463
4-Methyl-6-propan-2-yl-1,3-diazepin-4-amine
CID 129239062
2-Tert-butyl-4,4,6-trimethyl-1,3-diazepine
CID 130390686
4,4-Dimethyl-1,3-diazepine
CID 134399062
6-Ethyl-4,4-dimethyl-1,3-diazepine
CID 137446249
6-ethyl-2-methyl-4H-1,3-diazepine
CID 141939938
4,5-dimethyl-4H-1,3-diazepine
CID 142088261
2,4,6-trimethyl-4H-1,3-diazepine
CID 142223515
2,4,6-Trimethylazepin-2-amine
CID 142254157
(5Z)-N-methyl-5-propylidenepyrimidin-4-imine
CID 142392218

Frequently Asked Questions

What is the IUPAC name of 4,4,6-trimethyl-1,3-diazepin-2-amine?
The IUPAC name of 4,4,6-trimethyl-1,3-diazepin-2-amine (CID 143578146) is 4,4,6-trimethyl-1,3-diazepin-2-amine.
What is the SMILES notation for 4,4,6-trimethyl-1,3-diazepin-2-amine?
The canonical SMILES for 4,4,6-trimethyl-1,3-diazepin-2-amine is CC1=CC(C)(C)N=C(N)N=C1.
What is the InChIKey of 4,4,6-trimethyl-1,3-diazepin-2-amine?
The InChIKey is YLYOOUQMNHYNGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3/c1-6-4-8(2,3)11-7(9)10-5-6/h4-5H,1-3H3,(H2,9,11).
What are the key properties of 4,4,6-trimethyl-1,3-diazepin-2-amine?
4,4,6-trimethyl-1,3-diazepin-2-amine has a molecular weight of 151.21 g/mol, XLogP of 1.11, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,6-trimethyl-1,3-diazepin-2-amine is sourced from PubChem (CID 143578146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).