N-[(2-pyrazin-2-ylcyclopentyl)methyl]propan-2-amine

C13H21N3 — CID 81033718

IUPACN-[(2-pyrazin-2-ylcyclopentyl)methyl]propan-2-amine
SMILESCC(C)NCC1CCCC1c1cnccn1
InChIInChI=1S/C13H21N3/c1-10(2)16-8-11-4-3-5-12(11)13-9-14-6-7-15-13/h6-7,9-12,16H,3-5,8H2,1-2H3
InChIKeyHGFLRFPAINYZIB-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.36
Rot. Bonds4

About N-[(2-pyrazin-2-ylcyclopentyl)methyl]propan-2-amine

N-[(2-pyrazin-2-ylcyclopentyl)methyl]propan-2-amine (PubChem CID 81033718) has the molecular formula C13H21N3 and a molecular weight of 219.33 g/mol. Its IUPAC name is N-[(2-pyrazin-2-ylcyclopentyl)methyl]propan-2-amine.

Molecular Properties

Compound NameN-[(2-pyrazin-2-ylcyclopentyl)methyl]propan-2-amine
PubChem CID81033718
Molecular FormulaC13H21N3
Molecular Weight219.33 g/mol
Exact Mass219.17
IUPAC NameN-[(2-pyrazin-2-ylcyclopentyl)methyl]propan-2-amine
SMILESCC(C)NCC1CCCC1c1cnccn1
InChIInChI=1S/C13H21N3/c1-10(2)16-8-11-4-3-5-12(11)13-9-14-6-7-15-13/h6-7,9-12,16H,3-5,8H2,1-2H3
InChIKeyHGFLRFPAINYZIB-UHFFFAOYSA-N
XLogP2.36
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2-pyrazin-2-ylcyclopentyl)methyl]propan-2-amine?
The IUPAC name of N-[(2-pyrazin-2-ylcyclopentyl)methyl]propan-2-amine (CID 81033718) is N-[(2-pyrazin-2-ylcyclopentyl)methyl]propan-2-amine.
What is the SMILES notation for N-[(2-pyrazin-2-ylcyclopentyl)methyl]propan-2-amine?
The canonical SMILES for N-[(2-pyrazin-2-ylcyclopentyl)methyl]propan-2-amine is CC(C)NCC1CCCC1c1cnccn1.
What is the InChIKey of N-[(2-pyrazin-2-ylcyclopentyl)methyl]propan-2-amine?
The InChIKey is HGFLRFPAINYZIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3/c1-10(2)16-8-11-4-3-5-12(11)13-9-14-6-7-15-13/h6-7,9-12,16H,3-5,8H2,1-2H3.
What are the key properties of N-[(2-pyrazin-2-ylcyclopentyl)methyl]propan-2-amine?
N-[(2-pyrazin-2-ylcyclopentyl)methyl]propan-2-amine has a molecular weight of 219.33 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-pyrazin-2-ylcyclopentyl)methyl]propan-2-amine is sourced from PubChem (CID 81033718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).