8a-methyl-3-propan-2-yl-8H-cyclopenta[c]azepin-1-amine

C13H18N2 — CID 177170145

IUPAC8a-methyl-3-propan-2-yl-8H-cyclopenta[c]azepin-1-amine
SMILESCC(C)C1=CC=C2C=CCC2(C)C(N)=N1
InChIInChI=1S/C13H18N2/c1-9(2)11-7-6-10-5-4-8-13(10,3)12(14)15-11/h4-7,9H,8H2,1-3H3,(H2,14,15)
InChIKeyIMQSBCSLZXTSDF-UHFFFAOYSA-N
MW202.30 g/mol
LogP2.79
Rot. Bonds1

About 8a-methyl-3-propan-2-yl-8H-cyclopenta[c]azepin-1-amine

8a-methyl-3-propan-2-yl-8H-cyclopenta[c]azepin-1-amine (PubChem CID 177170145) has the molecular formula C13H18N2 and a molecular weight of 202.30 g/mol. Its IUPAC name is 8a-methyl-3-propan-2-yl-8H-cyclopenta[c]azepin-1-amine.

Molecular Properties

Compound Name8a-methyl-3-propan-2-yl-8H-cyclopenta[c]azepin-1-amine
PubChem CID177170145
Molecular FormulaC13H18N2
Molecular Weight202.30 g/mol
Exact Mass202.15
IUPAC Name8a-methyl-3-propan-2-yl-8H-cyclopenta[c]azepin-1-amine
SMILESCC(C)C1=CC=C2C=CCC2(C)C(N)=N1
InChIInChI=1S/C13H18N2/c1-9(2)11-7-6-10-5-4-8-13(10,3)12(14)15-11/h4-7,9H,8H2,1-3H3,(H2,14,15)
InChIKeyIMQSBCSLZXTSDF-UHFFFAOYSA-N
XLogP2.79
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8a-methyl-3-propan-2-yl-8H-cyclopenta[c]azepin-1-amine?
The IUPAC name of 8a-methyl-3-propan-2-yl-8H-cyclopenta[c]azepin-1-amine (CID 177170145) is 8a-methyl-3-propan-2-yl-8H-cyclopenta[c]azepin-1-amine.
What is the SMILES notation for 8a-methyl-3-propan-2-yl-8H-cyclopenta[c]azepin-1-amine?
The canonical SMILES for 8a-methyl-3-propan-2-yl-8H-cyclopenta[c]azepin-1-amine is CC(C)C1=CC=C2C=CCC2(C)C(N)=N1.
What is the InChIKey of 8a-methyl-3-propan-2-yl-8H-cyclopenta[c]azepin-1-amine?
The InChIKey is IMQSBCSLZXTSDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2/c1-9(2)11-7-6-10-5-4-8-13(10,3)12(14)15-11/h4-7,9H,8H2,1-3H3,(H2,14,15).
What are the key properties of 8a-methyl-3-propan-2-yl-8H-cyclopenta[c]azepin-1-amine?
8a-methyl-3-propan-2-yl-8H-cyclopenta[c]azepin-1-amine has a molecular weight of 202.30 g/mol, XLogP of 2.79, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8a-methyl-3-propan-2-yl-8H-cyclopenta[c]azepin-1-amine is sourced from PubChem (CID 177170145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).