1-[[(6-amino-2-pyridinyl)amino]methyl]-3-methylcyclohexan-1-ol

C13H21N3O — CID 80647406

IUPAC1-[[(6-amino-2-pyridinyl)amino]methyl]-3-methylcyclohexan-1-ol
SMILESCC1CCCC(O)(CNc2cccc(N)n2)C1
InChIInChI=1S/C13H21N3O/c1-10-4-3-7-13(17,8-10)9-15-12-6-2-5-11(14)16-12/h2,5-6,10,17H,3-4,7-9H2,1H3,(H3,14,15,16)
InChIKeyQJPQZLASJGMGNO-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.02
Rot. Bonds3

About 1-[[(6-amino-2-pyridinyl)amino]methyl]-3-methylcyclohexan-1-ol

1-[[(6-amino-2-pyridinyl)amino]methyl]-3-methylcyclohexan-1-ol (PubChem CID 80647406) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 1-[[(6-amino-2-pyridinyl)amino]methyl]-3-methylcyclohexan-1-ol.

Molecular Properties

Compound Name1-[[(6-amino-2-pyridinyl)amino]methyl]-3-methylcyclohexan-1-ol
PubChem CID80647406
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name1-[[(6-amino-2-pyridinyl)amino]methyl]-3-methylcyclohexan-1-ol
SMILESCC1CCCC(O)(CNc2cccc(N)n2)C1
InChIInChI=1S/C13H21N3O/c1-10-4-3-7-13(17,8-10)9-15-12-6-2-5-11(14)16-12/h2,5-6,10,17H,3-4,7-9H2,1H3,(H3,14,15,16)
InChIKeyQJPQZLASJGMGNO-UHFFFAOYSA-N
XLogP2.02
TPSA71.17 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[[(6-amino-2-pyridinyl)amino]methyl]-3-methylcyclohexan-1-ol?
The IUPAC name of 1-[[(6-amino-2-pyridinyl)amino]methyl]-3-methylcyclohexan-1-ol (CID 80647406) is 1-[[(6-amino-2-pyridinyl)amino]methyl]-3-methylcyclohexan-1-ol.
What is the SMILES notation for 1-[[(6-amino-2-pyridinyl)amino]methyl]-3-methylcyclohexan-1-ol?
The canonical SMILES for 1-[[(6-amino-2-pyridinyl)amino]methyl]-3-methylcyclohexan-1-ol is CC1CCCC(O)(CNc2cccc(N)n2)C1.
What is the InChIKey of 1-[[(6-amino-2-pyridinyl)amino]methyl]-3-methylcyclohexan-1-ol?
The InChIKey is QJPQZLASJGMGNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-10-4-3-7-13(17,8-10)9-15-12-6-2-5-11(14)16-12/h2,5-6,10,17H,3-4,7-9H2,1H3,(H3,14,15,16).
What are the key properties of 1-[[(6-amino-2-pyridinyl)amino]methyl]-3-methylcyclohexan-1-ol?
1-[[(6-amino-2-pyridinyl)amino]methyl]-3-methylcyclohexan-1-ol has a molecular weight of 235.33 g/mol, XLogP of 2.02, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(6-amino-2-pyridinyl)amino]methyl]-3-methylcyclohexan-1-ol is sourced from PubChem (CID 80647406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).