2-[[4-(aminomethyl)-2-pyridinyl]amino]-3-methylbutan-1-ol

C11H19N3O — CID 79254832

IUPAC2-[[4-(aminomethyl)-2-pyridinyl]amino]-3-methylbutan-1-ol
SMILESCC(C)C(CO)Nc1cc(CN)ccn1
InChIInChI=1S/C11H19N3O/c1-8(2)10(7-15)14-11-5-9(6-12)3-4-13-11/h3-5,8,10,15H,6-7,12H2,1-2H3,(H,13,14)
InChIKeyXEZORVLWPLHFNS-UHFFFAOYSA-N
MW209.29 g/mol
LogP0.97
Rot. Bonds5

About 2-[[4-(aminomethyl)-2-pyridinyl]amino]-3-methylbutan-1-ol

2-[[4-(aminomethyl)-2-pyridinyl]amino]-3-methylbutan-1-ol (PubChem CID 79254832) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 2-[[4-(aminomethyl)-2-pyridinyl]amino]-3-methylbutan-1-ol.

Molecular Properties

Compound Name2-[[4-(aminomethyl)-2-pyridinyl]amino]-3-methylbutan-1-ol
PubChem CID79254832
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name2-[[4-(aminomethyl)-2-pyridinyl]amino]-3-methylbutan-1-ol
SMILESCC(C)C(CO)Nc1cc(CN)ccn1
InChIInChI=1S/C11H19N3O/c1-8(2)10(7-15)14-11-5-9(6-12)3-4-13-11/h3-5,8,10,15H,6-7,12H2,1-2H3,(H,13,14)
InChIKeyXEZORVLWPLHFNS-UHFFFAOYSA-N
XLogP0.97
TPSA71.17 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 50.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(aminomethyl)-2-pyridinyl]amino]-3-methylbutan-1-ol?
The IUPAC name of 2-[[4-(aminomethyl)-2-pyridinyl]amino]-3-methylbutan-1-ol (CID 79254832) is 2-[[4-(aminomethyl)-2-pyridinyl]amino]-3-methylbutan-1-ol.
What is the SMILES notation for 2-[[4-(aminomethyl)-2-pyridinyl]amino]-3-methylbutan-1-ol?
The canonical SMILES for 2-[[4-(aminomethyl)-2-pyridinyl]amino]-3-methylbutan-1-ol is CC(C)C(CO)Nc1cc(CN)ccn1.
What is the InChIKey of 2-[[4-(aminomethyl)-2-pyridinyl]amino]-3-methylbutan-1-ol?
The InChIKey is XEZORVLWPLHFNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-8(2)10(7-15)14-11-5-9(6-12)3-4-13-11/h3-5,8,10,15H,6-7,12H2,1-2H3,(H,13,14).
What are the key properties of 2-[[4-(aminomethyl)-2-pyridinyl]amino]-3-methylbutan-1-ol?
2-[[4-(aminomethyl)-2-pyridinyl]amino]-3-methylbutan-1-ol has a molecular weight of 209.29 g/mol, XLogP of 0.97, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(aminomethyl)-2-pyridinyl]amino]-3-methylbutan-1-ol is sourced from PubChem (CID 79254832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).