1-[[[6-(ethylamino)-2-pyridinyl]amino]methyl]cyclohexan-1-ol

C14H23N3O — CID 80843577

IUPAC1-[[[6-(ethylamino)-2-pyridinyl]amino]methyl]cyclohexan-1-ol
SMILESCCNc1cccc(NCC2(O)CCCCC2)n1
InChIInChI=1S/C14H23N3O/c1-2-15-12-7-6-8-13(17-12)16-11-14(18)9-4-3-5-10-14/h6-8,18H,2-5,9-11H2,1H3,(H2,15,16,17)
InChIKeyUFHDBTSNOTYSGK-UHFFFAOYSA-N
MW249.36 g/mol
LogP2.62
Rot. Bonds5

About 1-[[[6-(ethylamino)-2-pyridinyl]amino]methyl]cyclohexan-1-ol

1-[[[6-(ethylamino)-2-pyridinyl]amino]methyl]cyclohexan-1-ol (PubChem CID 80843577) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 1-[[[6-(ethylamino)-2-pyridinyl]amino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-[[[6-(ethylamino)-2-pyridinyl]amino]methyl]cyclohexan-1-ol
PubChem CID80843577
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name1-[[[6-(ethylamino)-2-pyridinyl]amino]methyl]cyclohexan-1-ol
SMILESCCNc1cccc(NCC2(O)CCCCC2)n1
InChIInChI=1S/C14H23N3O/c1-2-15-12-7-6-8-13(17-12)16-11-14(18)9-4-3-5-10-14/h6-8,18H,2-5,9-11H2,1H3,(H2,15,16,17)
InChIKeyUFHDBTSNOTYSGK-UHFFFAOYSA-N
XLogP2.62
TPSA57.18 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 52.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[[[6-(ethylamino)-2-pyridinyl]amino]methyl]cyclohexan-1-ol?
The IUPAC name of 1-[[[6-(ethylamino)-2-pyridinyl]amino]methyl]cyclohexan-1-ol (CID 80843577) is 1-[[[6-(ethylamino)-2-pyridinyl]amino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 1-[[[6-(ethylamino)-2-pyridinyl]amino]methyl]cyclohexan-1-ol?
The canonical SMILES for 1-[[[6-(ethylamino)-2-pyridinyl]amino]methyl]cyclohexan-1-ol is CCNc1cccc(NCC2(O)CCCCC2)n1.
What is the InChIKey of 1-[[[6-(ethylamino)-2-pyridinyl]amino]methyl]cyclohexan-1-ol?
The InChIKey is UFHDBTSNOTYSGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-2-15-12-7-6-8-13(17-12)16-11-14(18)9-4-3-5-10-14/h6-8,18H,2-5,9-11H2,1H3,(H2,15,16,17).
What are the key properties of 1-[[[6-(ethylamino)-2-pyridinyl]amino]methyl]cyclohexan-1-ol?
1-[[[6-(ethylamino)-2-pyridinyl]amino]methyl]cyclohexan-1-ol has a molecular weight of 249.36 g/mol, XLogP of 2.62, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[[6-(ethylamino)-2-pyridinyl]amino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 80843577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).