2-[[6-(aminomethyl)-2-pyridinyl]amino]-3-methylbutan-1-ol

C11H19N3O — CID 79254007

IUPAC2-[[6-(aminomethyl)-2-pyridinyl]amino]-3-methylbutan-1-ol
SMILESCC(C)C(CO)Nc1cccc(CN)n1
InChIInChI=1S/C11H19N3O/c1-8(2)10(7-15)14-11-5-3-4-9(6-12)13-11/h3-5,8,10,15H,6-7,12H2,1-2H3,(H,13,14)
InChIKeyYCGUCDYMRVYMMP-UHFFFAOYSA-N
MW209.29 g/mol
LogP0.97
Rot. Bonds5

About 2-[[6-(aminomethyl)-2-pyridinyl]amino]-3-methylbutan-1-ol

2-[[6-(aminomethyl)-2-pyridinyl]amino]-3-methylbutan-1-ol (PubChem CID 79254007) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 2-[[6-(aminomethyl)-2-pyridinyl]amino]-3-methylbutan-1-ol.

Molecular Properties

Compound Name2-[[6-(aminomethyl)-2-pyridinyl]amino]-3-methylbutan-1-ol
PubChem CID79254007
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name2-[[6-(aminomethyl)-2-pyridinyl]amino]-3-methylbutan-1-ol
SMILESCC(C)C(CO)Nc1cccc(CN)n1
InChIInChI=1S/C11H19N3O/c1-8(2)10(7-15)14-11-5-3-4-9(6-12)13-11/h3-5,8,10,15H,6-7,12H2,1-2H3,(H,13,14)
InChIKeyYCGUCDYMRVYMMP-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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Related Compounds

(2S)-2-[(6-amino-2-pyridinyl)amino]-3-methylbutan-1-ol
CID 80648091
(2S)-3-methyl-2-[[6-(methylamino)-2-pyridinyl]amino]butan-1-ol
CID 80848987
2-[[4-(aminomethyl)-2-pyridinyl]amino]-3-methylbutan-1-ol
CID 79254832
3-methyl-2-N-(6-methyl-2-pyridinyl)butane-1,2-diamine
CID 65192341
6-(aminomethyl)-N-[1-(3-aminophenyl)ethyl]pyridin-2-amine;formic acid
CID 171678869
2-[(5-amino-6-propan-2-yloxy-2-pyridinyl)amino]-3-methylbutan-1-ol
CID 79248203
N-[6-(aminomethyl)-2-pyridinyl]-3-methylbutanamide
CID 82343819
4-methyl-3-N-(6-methyl-2-pyridinyl)pentane-1,3-diamine
CID 106357572
3-amino-6-[(1-hydroxy-3-methylbutan-2-yl)amino]pyridine-2-carbonitrile
CID 103468731
(2S)-2-[(2-hydrazinyl-6-methylpyrimidin-4-yl)amino]-3-methylbutan-1-ol
CID 80923311
3-methyl-2-[[2-(methylamino)pyrimidin-4-yl]amino]butan-1-ol
CID 80847955
(2S)-2-[[5-amino-6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]amino]-3-methylbutan-1-ol
CID 79248758

Frequently Asked Questions

What is the IUPAC name of 2-[[6-(aminomethyl)-2-pyridinyl]amino]-3-methylbutan-1-ol?
The IUPAC name of 2-[[6-(aminomethyl)-2-pyridinyl]amino]-3-methylbutan-1-ol (CID 79254007) is 2-[[6-(aminomethyl)-2-pyridinyl]amino]-3-methylbutan-1-ol.
What is the SMILES notation for 2-[[6-(aminomethyl)-2-pyridinyl]amino]-3-methylbutan-1-ol?
The canonical SMILES for 2-[[6-(aminomethyl)-2-pyridinyl]amino]-3-methylbutan-1-ol is CC(C)C(CO)Nc1cccc(CN)n1.
What is the InChIKey of 2-[[6-(aminomethyl)-2-pyridinyl]amino]-3-methylbutan-1-ol?
The InChIKey is YCGUCDYMRVYMMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-8(2)10(7-15)14-11-5-3-4-9(6-12)13-11/h3-5,8,10,15H,6-7,12H2,1-2H3,(H,13,14).
What are the key properties of 2-[[6-(aminomethyl)-2-pyridinyl]amino]-3-methylbutan-1-ol?
2-[[6-(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-[[6-(aminomethyl)-2-pyridinyl]amino]-3-methylbutan-1-ol is sourced from PubChem (CID 79254007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).