1-methoxy-3-propan-2-yl-6,7-dihydro-5H-cyclopenta[c]pyridin-7-amine

C12H18N2O — CID 175354808

IUPAC1-methoxy-3-propan-2-yl-6,7-dihydro-5H-cyclopenta[c]pyridin-7-amine
SMILESCOc1nc(C(C)C)cc2c1C(N)CC2
InChIInChI=1S/C12H18N2O/c1-7(2)10-6-8-4-5-9(13)11(8)12(14-10)15-3/h6-7,9H,4-5,13H2,1-3H3
InChIKeySPYYSLQTYHLDNL-UHFFFAOYSA-N
MW206.29 g/mol
LogP2.16
Rot. Bonds2

About 1-methoxy-3-propan-2-yl-6,7-dihydro-5H-cyclopenta[c]pyridin-7-amine

1-methoxy-3-propan-2-yl-6,7-dihydro-5H-cyclopenta[c]pyridin-7-amine (PubChem CID 175354808) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is 1-methoxy-3-propan-2-yl-6,7-dihydro-5H-cyclopenta[c]pyridin-7-amine.

Molecular Properties

Compound Name1-methoxy-3-propan-2-yl-6,7-dihydro-5H-cyclopenta[c]pyridin-7-amine
PubChem CID175354808
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name1-methoxy-3-propan-2-yl-6,7-dihydro-5H-cyclopenta[c]pyridin-7-amine
SMILESCOc1nc(C(C)C)cc2c1C(N)CC2
InChIInChI=1S/C12H18N2O/c1-7(2)10-6-8-4-5-9(13)11(8)12(14-10)15-3/h6-7,9H,4-5,13H2,1-3H3
InChIKeySPYYSLQTYHLDNL-UHFFFAOYSA-N
XLogP2.16
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methoxy-3-propan-2-yl-6,7-dihydro-5H-cyclopenta[c]pyridin-7-amine?
The IUPAC name of 1-methoxy-3-propan-2-yl-6,7-dihydro-5H-cyclopenta[c]pyridin-7-amine (CID 175354808) is 1-methoxy-3-propan-2-yl-6,7-dihydro-5H-cyclopenta[c]pyridin-7-amine.
What is the SMILES notation for 1-methoxy-3-propan-2-yl-6,7-dihydro-5H-cyclopenta[c]pyridin-7-amine?
The canonical SMILES for 1-methoxy-3-propan-2-yl-6,7-dihydro-5H-cyclopenta[c]pyridin-7-amine is COc1nc(C(C)C)cc2c1C(N)CC2.
What is the InChIKey of 1-methoxy-3-propan-2-yl-6,7-dihydro-5H-cyclopenta[c]pyridin-7-amine?
The InChIKey is SPYYSLQTYHLDNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-7(2)10-6-8-4-5-9(13)11(8)12(14-10)15-3/h6-7,9H,4-5,13H2,1-3H3.
What are the key properties of 1-methoxy-3-propan-2-yl-6,7-dihydro-5H-cyclopenta[c]pyridin-7-amine?
1-methoxy-3-propan-2-yl-6,7-dihydro-5H-cyclopenta[c]pyridin-7-amine has a molecular weight of 206.29 g/mol, XLogP of 2.16, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-3-propan-2-yl-6,7-dihydro-5H-cyclopenta[c]pyridin-7-amine is sourced from PubChem (CID 175354808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).