1-[[(6-amino-2-pyridinyl)amino]methyl]-4-ethylcyclohexan-1-ol

C14H23N3O — CID 80648199

IUPAC1-[[(6-amino-2-pyridinyl)amino]methyl]-4-ethylcyclohexan-1-ol
SMILESCCC1CCC(O)(CNc2cccc(N)n2)CC1
InChIInChI=1S/C14H23N3O/c1-2-11-6-8-14(18,9-7-11)10-16-13-5-3-4-12(15)17-13/h3-5,11,18H,2,6-10H2,1H3,(H3,15,16,17)
InChIKeyNELNXRLXDCLOPA-UHFFFAOYSA-N
MW249.36 g/mol
LogP2.41
Rot. Bonds4

About 1-[[(6-amino-2-pyridinyl)amino]methyl]-4-ethylcyclohexan-1-ol

1-[[(6-amino-2-pyridinyl)amino]methyl]-4-ethylcyclohexan-1-ol (PubChem CID 80648199) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 1-[[(6-amino-2-pyridinyl)amino]methyl]-4-ethylcyclohexan-1-ol.

Molecular Properties

Compound Name1-[[(6-amino-2-pyridinyl)amino]methyl]-4-ethylcyclohexan-1-ol
PubChem CID80648199
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name1-[[(6-amino-2-pyridinyl)amino]methyl]-4-ethylcyclohexan-1-ol
SMILESCCC1CCC(O)(CNc2cccc(N)n2)CC1
InChIInChI=1S/C14H23N3O/c1-2-11-6-8-14(18,9-7-11)10-16-13-5-3-4-12(15)17-13/h3-5,11,18H,2,6-10H2,1H3,(H3,15,16,17)
InChIKeyNELNXRLXDCLOPA-UHFFFAOYSA-N
XLogP2.41
TPSA71.17 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 52.41
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]-4-ethylcyclohexan-1-ol?
The IUPAC name of 1-[[(6-amino-2-pyridinyl)amino]methyl]-4-ethylcyclohexan-1-ol (CID 80648199) is 1-[[(6-amino-2-pyridinyl)amino]methyl]-4-ethylcyclohexan-1-ol.
What is the SMILES notation for 1-[[(6-amino-2-pyridinyl)amino]methyl]-4-ethylcyclohexan-1-ol?
The canonical SMILES for 1-[[(6-amino-2-pyridinyl)amino]methyl]-4-ethylcyclohexan-1-ol is CCC1CCC(O)(CNc2cccc(N)n2)CC1.
What is the InChIKey of 1-[[(6-amino-2-pyridinyl)amino]methyl]-4-ethylcyclohexan-1-ol?
The InChIKey is NELNXRLXDCLOPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-2-11-6-8-14(18,9-7-11)10-16-13-5-3-4-12(15)17-13/h3-5,11,18H,2,6-10H2,1H3,(H3,15,16,17).
What are the key properties of 1-[[(6-amino-2-pyridinyl)amino]methyl]-4-ethylcyclohexan-1-ol?
1-[[(6-amino-2-pyridinyl)amino]methyl]-4-ethylcyclohexan-1-ol has a molecular weight of 249.36 g/mol, XLogP of 2.41, 4 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]-4-ethylcyclohexan-1-ol is sourced from PubChem (CID 80648199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).