3-[(4-amino-5-methyl-2-pyridinyl)-propan-2-ylamino]propan-1-ol

C12H21N3O — CID 83266014

IUPAC3-[(4-amino-5-methyl-2-pyridinyl)-propan-2-ylamino]propan-1-ol
SMILESCc1cnc(N(CCCO)C(C)C)cc1N
InChIInChI=1S/C12H21N3O/c1-9(2)15(5-4-6-16)12-7-11(13)10(3)8-14-12/h7-9,16H,4-6H2,1-3H3,(H2,13,14)
InChIKeyBRJUIKVTAQUIMV-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.57
Rot. Bonds5

About 3-[(4-amino-5-methyl-2-pyridinyl)-propan-2-ylamino]propan-1-ol

3-[(4-amino-5-methyl-2-pyridinyl)-propan-2-ylamino]propan-1-ol (PubChem CID 83266014) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 3-[(4-amino-5-methyl-2-pyridinyl)-propan-2-ylamino]propan-1-ol.

Molecular Properties

Compound Name3-[(4-amino-5-methyl-2-pyridinyl)-propan-2-ylamino]propan-1-ol
PubChem CID83266014
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name3-[(4-amino-5-methyl-2-pyridinyl)-propan-2-ylamino]propan-1-ol
SMILESCc1cnc(N(CCCO)C(C)C)cc1N
InChIInChI=1S/C12H21N3O/c1-9(2)15(5-4-6-16)12-7-11(13)10(3)8-14-12/h7-9,16H,4-6H2,1-3H3,(H2,13,14)
InChIKeyBRJUIKVTAQUIMV-UHFFFAOYSA-N
XLogP1.57
TPSA62.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-amino-5-methyl-2-pyridinyl)-propan-2-ylamino]propan-1-ol?
The IUPAC name of 3-[(4-amino-5-methyl-2-pyridinyl)-propan-2-ylamino]propan-1-ol (CID 83266014) is 3-[(4-amino-5-methyl-2-pyridinyl)-propan-2-ylamino]propan-1-ol.
What is the SMILES notation for 3-[(4-amino-5-methyl-2-pyridinyl)-propan-2-ylamino]propan-1-ol?
The canonical SMILES for 3-[(4-amino-5-methyl-2-pyridinyl)-propan-2-ylamino]propan-1-ol is Cc1cnc(N(CCCO)C(C)C)cc1N.
What is the InChIKey of 3-[(4-amino-5-methyl-2-pyridinyl)-propan-2-ylamino]propan-1-ol?
The InChIKey is BRJUIKVTAQUIMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-9(2)15(5-4-6-16)12-7-11(13)10(3)8-14-12/h7-9,16H,4-6H2,1-3H3,(H2,13,14).
What are the key properties of 3-[(4-amino-5-methyl-2-pyridinyl)-propan-2-ylamino]propan-1-ol?
3-[(4-amino-5-methyl-2-pyridinyl)-propan-2-ylamino]propan-1-ol has a molecular weight of 223.32 g/mol, XLogP of 1.57, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-amino-5-methyl-2-pyridinyl)-propan-2-ylamino]propan-1-ol is sourced from PubChem (CID 83266014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).