N,N-dimethyl-5,6,7,7a-tetrahydro-4aH-cyclopenta[b]pyridin-4-amine

C10H16N2 — CID 91998224

IUPACN,N-dimethyl-5,6,7,7a-tetrahydro-4aH-cyclopenta[b]pyridin-4-amine
SMILESCN(C)C1=CC=NC2CCCC12
InChIInChI=1S/C10H16N2/c1-12(2)10-6-7-11-9-5-3-4-8(9)10/h6-9H,3-5H2,1-2H3
InChIKeyTYHJSLUUDYNIPS-UHFFFAOYSA-N
MW164.25 g/mol
LogP1.68
Rot. Bonds1

About N,N-dimethyl-5,6,7,7a-tetrahydro-4aH-cyclopenta[b]pyridin-4-amine

N,N-dimethyl-5,6,7,7a-tetrahydro-4aH-cyclopenta[b]pyridin-4-amine (PubChem CID 91998224) has the molecular formula C10H16N2 and a molecular weight of 164.25 g/mol. Its IUPAC name is N,N-dimethyl-5,6,7,7a-tetrahydro-4aH-cyclopenta[b]pyridin-4-amine.

Molecular Properties

Compound NameN,N-dimethyl-5,6,7,7a-tetrahydro-4aH-cyclopenta[b]pyridin-4-amine
PubChem CID91998224
Molecular FormulaC10H16N2
Molecular Weight164.25 g/mol
Exact Mass164.13
IUPAC NameN,N-dimethyl-5,6,7,7a-tetrahydro-4aH-cyclopenta[b]pyridin-4-amine
SMILESCN(C)C1=CC=NC2CCCC12
InChIInChI=1S/C10H16N2/c1-12(2)10-6-7-11-9-5-3-4-8(9)10/h6-9H,3-5H2,1-2H3
InChIKeyTYHJSLUUDYNIPS-UHFFFAOYSA-N
XLogP1.68
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-5,6,7,7a-tetrahydro-4aH-cyclopenta[b]pyridin-4-amine?
The IUPAC name of N,N-dimethyl-5,6,7,7a-tetrahydro-4aH-cyclopenta[b]pyridin-4-amine (CID 91998224) is N,N-dimethyl-5,6,7,7a-tetrahydro-4aH-cyclopenta[b]pyridin-4-amine.
What is the SMILES notation for N,N-dimethyl-5,6,7,7a-tetrahydro-4aH-cyclopenta[b]pyridin-4-amine?
The canonical SMILES for N,N-dimethyl-5,6,7,7a-tetrahydro-4aH-cyclopenta[b]pyridin-4-amine is CN(C)C1=CC=NC2CCCC12.
What is the InChIKey of N,N-dimethyl-5,6,7,7a-tetrahydro-4aH-cyclopenta[b]pyridin-4-amine?
The InChIKey is TYHJSLUUDYNIPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2/c1-12(2)10-6-7-11-9-5-3-4-8(9)10/h6-9H,3-5H2,1-2H3.
What are the key properties of N,N-dimethyl-5,6,7,7a-tetrahydro-4aH-cyclopenta[b]pyridin-4-amine?
N,N-dimethyl-5,6,7,7a-tetrahydro-4aH-cyclopenta[b]pyridin-4-amine has a molecular weight of 164.25 g/mol, XLogP of 1.68, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-5,6,7,7a-tetrahydro-4aH-cyclopenta[b]pyridin-4-amine is sourced from PubChem (CID 91998224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).