2,7-dimethyl-1,3-dihydropyrrolo[3,4-c]azepin-7-amine

C10H15N3 — CID 155591008

IUPAC2,7-dimethyl-1,3-dihydropyrrolo[3,4-c]azepin-7-amine
SMILESCN1CC2=CN=CC(C)(N)C=C2C1
InChIInChI=1S/C10H15N3/c1-10(11)3-8-5-13(2)6-9(8)4-12-7-10/h3-4,7H,5-6,11H2,1-2H3
InChIKeyWHYQCDRJSAGPTN-UHFFFAOYSA-N
MW177.25 g/mol
LogP0.54
Rot. Bonds

About 2,7-dimethyl-1,3-dihydropyrrolo[3,4-c]azepin-7-amine

2,7-dimethyl-1,3-dihydropyrrolo[3,4-c]azepin-7-amine (PubChem CID 155591008) has the molecular formula C10H15N3 and a molecular weight of 177.25 g/mol. Its IUPAC name is 2,7-dimethyl-1,3-dihydropyrrolo[3,4-c]azepin-7-amine.

Molecular Properties

Compound Name2,7-dimethyl-1,3-dihydropyrrolo[3,4-c]azepin-7-amine
PubChem CID155591008
Molecular FormulaC10H15N3
Molecular Weight177.25 g/mol
Exact Mass177.13
IUPAC Name2,7-dimethyl-1,3-dihydropyrrolo[3,4-c]azepin-7-amine
SMILESCN1CC2=CN=CC(C)(N)C=C2C1
InChIInChI=1S/C10H15N3/c1-10(11)3-8-5-13(2)6-9(8)4-12-7-10/h3-4,7H,5-6,11H2,1-2H3
InChIKeyWHYQCDRJSAGPTN-UHFFFAOYSA-N
XLogP0.54
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,2,3,7-Tetrahydropyrrolo[3,4-c]azepine
CID 57288370
7-methyl-2,3-dihydro-1H-pyrrolo[3,4-c]azepin-7-amine
CID 130295912
5-methyl-2,3-dihydro-1H-pyrrolo[2,3-c]azepin-5-amine
CID 134404988
5-Methyl-1,2,3,5-tetrahydropyrrolo[2,3-c]azepine
CID 137507507
1,2,3,5-Tetrahydropyrrolo[2,3-c]azepine
CID 142155634
7,7-dimethyl-2,3-dihydro-1H-pyrrolo[3,4-c]azepine
CID 142291609

Frequently Asked Questions

What is the IUPAC name of 2,7-dimethyl-1,3-dihydropyrrolo[3,4-c]azepin-7-amine?
The IUPAC name of 2,7-dimethyl-1,3-dihydropyrrolo[3,4-c]azepin-7-amine (CID 155591008) is 2,7-dimethyl-1,3-dihydropyrrolo[3,4-c]azepin-7-amine.
What is the SMILES notation for 2,7-dimethyl-1,3-dihydropyrrolo[3,4-c]azepin-7-amine?
The canonical SMILES for 2,7-dimethyl-1,3-dihydropyrrolo[3,4-c]azepin-7-amine is CN1CC2=CN=CC(C)(N)C=C2C1.
What is the InChIKey of 2,7-dimethyl-1,3-dihydropyrrolo[3,4-c]azepin-7-amine?
The InChIKey is WHYQCDRJSAGPTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3/c1-10(11)3-8-5-13(2)6-9(8)4-12-7-10/h3-4,7H,5-6,11H2,1-2H3.
What are the key properties of 2,7-dimethyl-1,3-dihydropyrrolo[3,4-c]azepin-7-amine?
2,7-dimethyl-1,3-dihydropyrrolo[3,4-c]azepin-7-amine has a molecular weight of 177.25 g/mol, XLogP of 0.54, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-dimethyl-1,3-dihydropyrrolo[3,4-c]azepin-7-amine is sourced from PubChem (CID 155591008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).