2-(1-pyrazin-2-ylethylamino)cycloheptan-1-ol

C13H21N3O — CID 113394642

IUPAC2-(1-pyrazin-2-ylethylamino)cycloheptan-1-ol
SMILESCC(NC1CCCCCC1O)c1cnccn1
InChIInChI=1S/C13H21N3O/c1-10(12-9-14-7-8-15-12)16-11-5-3-2-4-6-13(11)17/h7-11,13,16-17H,2-6H2,1H3
InChIKeyJDIQOBUONLQVLZ-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.82
Rot. Bonds3

About 2-(1-pyrazin-2-ylethylamino)cycloheptan-1-ol

2-(1-pyrazin-2-ylethylamino)cycloheptan-1-ol (PubChem CID 113394642) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 2-(1-pyrazin-2-ylethylamino)cycloheptan-1-ol.

Molecular Properties

Compound Name2-(1-pyrazin-2-ylethylamino)cycloheptan-1-ol
PubChem CID113394642
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name2-(1-pyrazin-2-ylethylamino)cycloheptan-1-ol
SMILESCC(NC1CCCCCC1O)c1cnccn1
InChIInChI=1S/C13H21N3O/c1-10(12-9-14-7-8-15-12)16-11-5-3-2-4-6-13(11)17/h7-11,13,16-17H,2-6H2,1H3
InChIKeyJDIQOBUONLQVLZ-UHFFFAOYSA-N
XLogP1.82
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

trans-(1S,2S)-2-cyclopentyloxy-N-[(1S)-1-pyrazin-2-ylethyl]cyclohexan-1-amine
CID 97108565
trans-(1S,2S)-2-[[(1R)-1-pyridin-2-ylethyl]amino]cyclohexan-1-ol
CID 102731505
2-[[(1S)-1-pyridin-3-ylethyl]amino]cyclohexan-1-ol
CID 81404938
trans-(1S,2R)-2-(4-fluorophenyl)-N-[(1S)-1-pyrazin-2-ylethyl]cyclopentan-1-amine
CID 97101779
3-cyclopropyl-N-(1-pyrazin-2-ylethyl)cyclohexan-1-amine
CID 75482982
trans-(1S,2S)-2-(1-pyridin-3-ylethylamino)cyclopentan-1-ol
CID 102733105
2-[1-(5-fluoro-2-pyridinyl)ethylamino]cyclopentan-1-ol
CID 115891343
(3R)-N-[(1S)-1-pyrazin-2-ylethyl]piperidin-3-amine
CID 97162191
(2R)-2-(propan-2-ylamino)cycloheptan-1-ol
CID 166814951
2-(1-pyridin-4-ylethylamino)cyclopentan-1-ol
CID 60713516
trans-(1R,2R)-2-(1-pyridin-4-ylethylamino)cyclopentan-1-ol
CID 102733108
3-methyl-N-(1-pyrazin-2-ylethyl)cyclopentan-1-amine
CID 114543875

Frequently Asked Questions

What is the IUPAC name of 2-(1-pyrazin-2-ylethylamino)cycloheptan-1-ol?
The IUPAC name of 2-(1-pyrazin-2-ylethylamino)cycloheptan-1-ol (CID 113394642) is 2-(1-pyrazin-2-ylethylamino)cycloheptan-1-ol.
What is the SMILES notation for 2-(1-pyrazin-2-ylethylamino)cycloheptan-1-ol?
The canonical SMILES for 2-(1-pyrazin-2-ylethylamino)cycloheptan-1-ol is CC(NC1CCCCCC1O)c1cnccn1.
What is the InChIKey of 2-(1-pyrazin-2-ylethylamino)cycloheptan-1-ol?
The InChIKey is JDIQOBUONLQVLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-10(12-9-14-7-8-15-12)16-11-5-3-2-4-6-13(11)17/h7-11,13,16-17H,2-6H2,1H3.
What are the key properties of 2-(1-pyrazin-2-ylethylamino)cycloheptan-1-ol?
2-(1-pyrazin-2-ylethylamino)cycloheptan-1-ol has a molecular weight of 235.33 g/mol, XLogP of 1.82, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-pyrazin-2-ylethylamino)cycloheptan-1-ol is sourced from PubChem (CID 113394642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).