6-ethyl-4-methyldiazepin-4-amine

C8H13N3 — CID 142451832

IUPAC6-ethyl-4-methyldiazepin-4-amine
SMILESCCC1=CC(C)(N)C=NN=C1
InChIInChI=1S/C8H13N3/c1-3-7-4-8(2,9)6-11-10-5-7/h4-6H,3,9H2,1-2H3
InChIKeyDYVGDIQZZXXFFA-UHFFFAOYSA-N
MW151.21 g/mol
LogP1.11
Rot. Bonds1

About 6-ethyl-4-methyldiazepin-4-amine

6-ethyl-4-methyldiazepin-4-amine (PubChem CID 142451832) has the molecular formula C8H13N3 and a molecular weight of 151.21 g/mol. Its IUPAC name is 6-ethyl-4-methyldiazepin-4-amine.

Molecular Properties

Compound Name6-ethyl-4-methyldiazepin-4-amine
PubChem CID142451832
Molecular FormulaC8H13N3
Molecular Weight151.21 g/mol
Exact Mass151.11
IUPAC Name6-ethyl-4-methyldiazepin-4-amine
SMILESCCC1=CC(C)(N)C=NN=C1
InChIInChI=1S/C8H13N3/c1-3-7-4-8(2,9)6-11-10-5-7/h4-6H,3,9H2,1-2H3
InChIKeyDYVGDIQZZXXFFA-UHFFFAOYSA-N
XLogP1.11
TPSA50.74 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
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

(4S)-4,6-dimethylazepin-4-amine
CID 126635623
4,6-Dimethylazepin-4-amine
CID 132150692
4-Methyl-6-propan-2-yldiazepin-4-amine
CID 135136127
(Z)-1-imino-2-methylpent-3-en-2-amine
CID 142193078
2,4,6-Trimethylazepin-2-amine
CID 142254157
4,4,6-Trimethyl-1,3-diazepin-2-amine
CID 143578146
4-Methyldiazepin-4-amine
CID 144044670
(4S)-4-methyldiazepin-4-amine
CID 163881770
(E)-3-methanimidoyl-2-methylpent-3-en-2-amine
CID 163939449

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-4-methyldiazepin-4-amine?
The IUPAC name of 6-ethyl-4-methyldiazepin-4-amine (CID 142451832) is 6-ethyl-4-methyldiazepin-4-amine.
What is the SMILES notation for 6-ethyl-4-methyldiazepin-4-amine?
The canonical SMILES for 6-ethyl-4-methyldiazepin-4-amine is CCC1=CC(C)(N)C=NN=C1.
What is the InChIKey of 6-ethyl-4-methyldiazepin-4-amine?
The InChIKey is DYVGDIQZZXXFFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3/c1-3-7-4-8(2,9)6-11-10-5-7/h4-6H,3,9H2,1-2H3.
What are the key properties of 6-ethyl-4-methyldiazepin-4-amine?
6-ethyl-4-methyldiazepin-4-amine has a molecular weight of 151.21 g/mol, XLogP of 1.11, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-4-methyldiazepin-4-amine is sourced from PubChem (CID 142451832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).