3-methyl-3-(1-pyrazin-2-ylethylamino)pentan-1-ol

C12H21N3O — CID 115921095

IUPAC3-methyl-3-(1-pyrazin-2-ylethylamino)pentan-1-ol
SMILESCCC(C)(CCO)NC(C)c1cnccn1
InChIInChI=1S/C12H21N3O/c1-4-12(3,5-8-16)15-10(2)11-9-13-6-7-14-11/h6-7,9-10,15-16H,4-5,8H2,1-3H3
InChIKeyTUTAKBPXPFVYDY-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.68
Rot. Bonds6

About 3-methyl-3-(1-pyrazin-2-ylethylamino)pentan-1-ol

3-methyl-3-(1-pyrazin-2-ylethylamino)pentan-1-ol (PubChem CID 115921095) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 3-methyl-3-(1-pyrazin-2-ylethylamino)pentan-1-ol.

Molecular Properties

Compound Name3-methyl-3-(1-pyrazin-2-ylethylamino)pentan-1-ol
PubChem CID115921095
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name3-methyl-3-(1-pyrazin-2-ylethylamino)pentan-1-ol
SMILESCCC(C)(CCO)NC(C)c1cnccn1
InChIInChI=1S/C12H21N3O/c1-4-12(3,5-8-16)15-10(2)11-9-13-6-7-14-11/h6-7,9-10,15-16H,4-5,8H2,1-3H3
InChIKeyTUTAKBPXPFVYDY-UHFFFAOYSA-N
XLogP1.68
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4,4-dimethyl-N-(1-pyrazin-2-ylethyl)pentan-1-amine
CID 115891455
(2R)-2-(1-pyrazin-2-ylethylamino)butan-1-ol
CID 103922625
3-methyl-3-(propan-2-ylamino)pentan-1-ol
CID 115921099
4,4,4-trifluoro-N-(1-pyrazin-2-ylethyl)butan-1-amine
CID 81343203
2-(diethylamino)-2-methyl-1-pyrazin-2-ylbutan-1-ol
CID 79064252
(3R)-3-(methylamino)-3-pyrazin-2-ylpropan-1-ol
CID 96762763
3-ethyl-1-(1-pyrazin-2-ylethylamino)pentan-2-ol
CID 103783040
1,1,1-trifluoro-3-(1-pyrazin-2-ylethylamino)propan-2-ol
CID 115712106
1-(1-pyrazin-2-ylethylamino)pentan-2-ol
CID 115719323
2-ethoxy-2-ethyl-1-pyrazin-2-ylbutan-1-ol
CID 116752667
N-(3-methylpentan-3-yl)pyrazin-2-amine
CID 106329836
2-methyl-2-methylsulfonyl-N-(1-pyrazin-2-ylethyl)propan-1-amine
CID 79552239

Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-(1-pyrazin-2-ylethylamino)pentan-1-ol?
The IUPAC name of 3-methyl-3-(1-pyrazin-2-ylethylamino)pentan-1-ol (CID 115921095) is 3-methyl-3-(1-pyrazin-2-ylethylamino)pentan-1-ol.
What is the SMILES notation for 3-methyl-3-(1-pyrazin-2-ylethylamino)pentan-1-ol?
The canonical SMILES for 3-methyl-3-(1-pyrazin-2-ylethylamino)pentan-1-ol is CCC(C)(CCO)NC(C)c1cnccn1.
What is the InChIKey of 3-methyl-3-(1-pyrazin-2-ylethylamino)pentan-1-ol?
The InChIKey is TUTAKBPXPFVYDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-4-12(3,5-8-16)15-10(2)11-9-13-6-7-14-11/h6-7,9-10,15-16H,4-5,8H2,1-3H3.
What are the key properties of 3-methyl-3-(1-pyrazin-2-ylethylamino)pentan-1-ol?
3-methyl-3-(1-pyrazin-2-ylethylamino)pentan-1-ol has a molecular weight of 223.32 g/mol, XLogP of 1.68, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-(1-pyrazin-2-ylethylamino)pentan-1-ol is sourced from PubChem (CID 115921095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).