2-[methyl-[[2-(propylamino)-3-pyridinyl]methyl]amino]cyclohexan-1-ol

C16H27N3O — CID 102636827

IUPAC2-[methyl-[[2-(propylamino)-3-pyridinyl]methyl]amino]cyclohexan-1-ol
SMILESCCCNc1ncccc1CN(C)C1CCCCC1O
InChIInChI=1S/C16H27N3O/c1-3-10-17-16-13(7-6-11-18-16)12-19(2)14-8-4-5-9-15(14)20/h6-7,11,14-15,20H,3-5,8-10,12H2,1-2H3,(H,17,18)
InChIKeyZLTOMJCWGSKBJA-UHFFFAOYSA-N
MW277.41 g/mol
LogP2.64
Rot. Bonds6

About 2-[methyl-[[2-(propylamino)-3-pyridinyl]methyl]amino]cyclohexan-1-ol

2-[methyl-[[2-(propylamino)-3-pyridinyl]methyl]amino]cyclohexan-1-ol (PubChem CID 102636827) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is 2-[methyl-[[2-(propylamino)-3-pyridinyl]methyl]amino]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[methyl-[[2-(propylamino)-3-pyridinyl]methyl]amino]cyclohexan-1-ol
PubChem CID102636827
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC Name2-[methyl-[[2-(propylamino)-3-pyridinyl]methyl]amino]cyclohexan-1-ol
SMILESCCCNc1ncccc1CN(C)C1CCCCC1O
InChIInChI=1S/C16H27N3O/c1-3-10-17-16-13(7-6-11-18-16)12-19(2)14-8-4-5-9-15(14)20/h6-7,11,14-15,20H,3-5,8-10,12H2,1-2H3,(H,17,18)
InChIKeyZLTOMJCWGSKBJA-UHFFFAOYSA-N
XLogP2.64
TPSA48.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[[2-(propylamino)-3-pyridinyl]methyl]amino]cyclohexan-1-ol?
The IUPAC name of 2-[methyl-[[2-(propylamino)-3-pyridinyl]methyl]amino]cyclohexan-1-ol (CID 102636827) is 2-[methyl-[[2-(propylamino)-3-pyridinyl]methyl]amino]cyclohexan-1-ol.
What is the SMILES notation for 2-[methyl-[[2-(propylamino)-3-pyridinyl]methyl]amino]cyclohexan-1-ol?
The canonical SMILES for 2-[methyl-[[2-(propylamino)-3-pyridinyl]methyl]amino]cyclohexan-1-ol is CCCNc1ncccc1CN(C)C1CCCCC1O.
What is the InChIKey of 2-[methyl-[[2-(propylamino)-3-pyridinyl]methyl]amino]cyclohexan-1-ol?
The InChIKey is ZLTOMJCWGSKBJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-3-10-17-16-13(7-6-11-18-16)12-19(2)14-8-4-5-9-15(14)20/h6-7,11,14-15,20H,3-5,8-10,12H2,1-2H3,(H,17,18).
What are the key properties of 2-[methyl-[[2-(propylamino)-3-pyridinyl]methyl]amino]cyclohexan-1-ol?
2-[methyl-[[2-(propylamino)-3-pyridinyl]methyl]amino]cyclohexan-1-ol has a molecular weight of 277.41 g/mol, XLogP of 2.64, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[[2-(propylamino)-3-pyridinyl]methyl]amino]cyclohexan-1-ol is sourced from PubChem (CID 102636827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).