3,3-dimethyl-N-[1-(3-methylpyrazin-2-yl)ethyl]cyclopentan-1-amine

C14H23N3 — CID 102613119

IUPAC3,3-dimethyl-N-[1-(3-methylpyrazin-2-yl)ethyl]cyclopentan-1-amine
SMILESCc1nccnc1C(C)NC1CCC(C)(C)C1
InChIInChI=1S/C14H23N3/c1-10-13(16-8-7-15-10)11(2)17-12-5-6-14(3,4)9-12/h7-8,11-12,17H,5-6,9H2,1-4H3
InChIKeyFSHUCEOOTOAHQD-UHFFFAOYSA-N
MW233.36 g/mol
LogP3.01
Rot. Bonds3

About 3,3-dimethyl-N-[1-(3-methylpyrazin-2-yl)ethyl]cyclopentan-1-amine

3,3-dimethyl-N-[1-(3-methylpyrazin-2-yl)ethyl]cyclopentan-1-amine (PubChem CID 102613119) has the molecular formula C14H23N3 and a molecular weight of 233.36 g/mol. Its IUPAC name is 3,3-dimethyl-N-[1-(3-methylpyrazin-2-yl)ethyl]cyclopentan-1-amine.

Molecular Properties

Compound Name3,3-dimethyl-N-[1-(3-methylpyrazin-2-yl)ethyl]cyclopentan-1-amine
PubChem CID102613119
Molecular FormulaC14H23N3
Molecular Weight233.36 g/mol
Exact Mass233.19
IUPAC Name3,3-dimethyl-N-[1-(3-methylpyrazin-2-yl)ethyl]cyclopentan-1-amine
SMILESCc1nccnc1C(C)NC1CCC(C)(C)C1
InChIInChI=1S/C14H23N3/c1-10-13(16-8-7-15-10)11(2)17-12-5-6-14(3,4)9-12/h7-8,11-12,17H,5-6,9H2,1-4H3
InChIKeyFSHUCEOOTOAHQD-UHFFFAOYSA-N
XLogP3.01
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-N-[1-(3-methylpyrazin-2-yl)ethyl]cyclopentan-1-amine?
The IUPAC name of 3,3-dimethyl-N-[1-(3-methylpyrazin-2-yl)ethyl]cyclopentan-1-amine (CID 102613119) is 3,3-dimethyl-N-[1-(3-methylpyrazin-2-yl)ethyl]cyclopentan-1-amine.
What is the SMILES notation for 3,3-dimethyl-N-[1-(3-methylpyrazin-2-yl)ethyl]cyclopentan-1-amine?
The canonical SMILES for 3,3-dimethyl-N-[1-(3-methylpyrazin-2-yl)ethyl]cyclopentan-1-amine is Cc1nccnc1C(C)NC1CCC(C)(C)C1.
What is the InChIKey of 3,3-dimethyl-N-[1-(3-methylpyrazin-2-yl)ethyl]cyclopentan-1-amine?
The InChIKey is FSHUCEOOTOAHQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3/c1-10-13(16-8-7-15-10)11(2)17-12-5-6-14(3,4)9-12/h7-8,11-12,17H,5-6,9H2,1-4H3.
What are the key properties of 3,3-dimethyl-N-[1-(3-methylpyrazin-2-yl)ethyl]cyclopentan-1-amine?
3,3-dimethyl-N-[1-(3-methylpyrazin-2-yl)ethyl]cyclopentan-1-amine has a molecular weight of 233.36 g/mol, XLogP of 3.01, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-N-[1-(3-methylpyrazin-2-yl)ethyl]cyclopentan-1-amine is sourced from PubChem (CID 102613119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).