1-(2-amino-4-pyridinyl)-4-(diethylamino)butan-2-ol

C13H23N3O — CID 79087656

IUPAC1-(2-amino-4-pyridinyl)-4-(diethylamino)butan-2-ol
SMILESCCN(CC)CCC(O)Cc1ccnc(N)c1
InChIInChI=1S/C13H23N3O/c1-3-16(4-2)8-6-12(17)9-11-5-7-15-13(14)10-11/h5,7,10,12,17H,3-4,6,8-9H2,1-2H3,(H2,14,15)
InChIKeyJOVPPTUIKHNMSQ-UHFFFAOYSA-N
MW237.35 g/mol
LogP1.30
Rot. Bonds7

About 1-(2-amino-4-pyridinyl)-4-(diethylamino)butan-2-ol

1-(2-amino-4-pyridinyl)-4-(diethylamino)butan-2-ol (PubChem CID 79087656) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 1-(2-amino-4-pyridinyl)-4-(diethylamino)butan-2-ol.

Molecular Properties

Compound Name1-(2-amino-4-pyridinyl)-4-(diethylamino)butan-2-ol
PubChem CID79087656
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name1-(2-amino-4-pyridinyl)-4-(diethylamino)butan-2-ol
SMILESCCN(CC)CCC(O)Cc1ccnc(N)c1
InChIInChI=1S/C13H23N3O/c1-3-16(4-2)8-6-12(17)9-11-5-7-15-13(14)10-11/h5,7,10,12,17H,3-4,6,8-9H2,1-2H3,(H2,14,15)
InChIKeyJOVPPTUIKHNMSQ-UHFFFAOYSA-N
XLogP1.30
TPSA62.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-4-pyridinyl)-4-(diethylamino)butan-2-ol?
The IUPAC name of 1-(2-amino-4-pyridinyl)-4-(diethylamino)butan-2-ol (CID 79087656) is 1-(2-amino-4-pyridinyl)-4-(diethylamino)butan-2-ol.
What is the SMILES notation for 1-(2-amino-4-pyridinyl)-4-(diethylamino)butan-2-ol?
The canonical SMILES for 1-(2-amino-4-pyridinyl)-4-(diethylamino)butan-2-ol is CCN(CC)CCC(O)Cc1ccnc(N)c1.
What is the InChIKey of 1-(2-amino-4-pyridinyl)-4-(diethylamino)butan-2-ol?
The InChIKey is JOVPPTUIKHNMSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-3-16(4-2)8-6-12(17)9-11-5-7-15-13(14)10-11/h5,7,10,12,17H,3-4,6,8-9H2,1-2H3,(H2,14,15).
What are the key properties of 1-(2-amino-4-pyridinyl)-4-(diethylamino)butan-2-ol?
1-(2-amino-4-pyridinyl)-4-(diethylamino)butan-2-ol has a molecular weight of 237.35 g/mol, XLogP of 1.30, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-4-pyridinyl)-4-(diethylamino)butan-2-ol is sourced from PubChem (CID 79087656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).