2-[methyl-[[2-(propylamino)-4-pyridinyl]methyl]amino]cyclohexan-1-ol

C16H27N3O — CID 102636839

IUPAC2-[methyl-[[2-(propylamino)-4-pyridinyl]methyl]amino]cyclohexan-1-ol
SMILESCCCNc1cc(CN(C)C2CCCCC2O)ccn1
InChIInChI=1S/C16H27N3O/c1-3-9-17-16-11-13(8-10-18-16)12-19(2)14-6-4-5-7-15(14)20/h8,10-11,14-15,20H,3-7,9,12H2,1-2H3,(H,17,18)
InChIKeySOAIVRZMMJNSJA-UHFFFAOYSA-N
MW277.41 g/mol
LogP2.64
Rot. Bonds6

About 2-[methyl-[[2-(propylamino)-4-pyridinyl]methyl]amino]cyclohexan-1-ol

2-[methyl-[[2-(propylamino)-4-pyridinyl]methyl]amino]cyclohexan-1-ol (PubChem CID 102636839) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is 2-[methyl-[[2-(propylamino)-4-pyridinyl]methyl]amino]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[methyl-[[2-(propylamino)-4-pyridinyl]methyl]amino]cyclohexan-1-ol
PubChem CID102636839
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC Name2-[methyl-[[2-(propylamino)-4-pyridinyl]methyl]amino]cyclohexan-1-ol
SMILESCCCNc1cc(CN(C)C2CCCCC2O)ccn1
InChIInChI=1S/C16H27N3O/c1-3-9-17-16-11-13(8-10-18-16)12-19(2)14-6-4-5-7-15(14)20/h8,10-11,14-15,20H,3-7,9,12H2,1-2H3,(H,17,18)
InChIKeySOAIVRZMMJNSJA-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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Related Compounds

2-[(2-hydrazinyl-4-pyridinyl)methyl-methylamino]cyclohexan-1-ol
CID 102636890
4-[[cyclopentyl(ethyl)amino]methyl]-N-propylpyridin-2-amine
CID 55075363
4-[[(4-ethylcyclohexyl)-methylamino]methyl]-N-propylpyridin-2-amine
CID 63501562
4-[[ethyl(methyl)amino]methyl]-N-propylpyridin-2-amine
CID 62472407
4-[[cyclopropyl(ethyl)amino]methyl]-N-propylpyridin-2-amine
CID 55075457
2-[methyl-[[2-(propylamino)-3-pyridinyl]methyl]amino]cyclohexan-1-ol
CID 102636827
4-(diethylaminomethyl)-N-propylpyridin-2-amine
CID 62472000
4-[[(4-fluorophenyl)methyl-methylamino]methyl]-N-propylpyridin-2-amine
CID 62464531
4-[[methyl(2-methylbutyl)amino]methyl]-N-propylpyridin-2-amine
CID 62469698
4-[[methyl(3-methylbutyl)amino]methyl]-N-propylpyridin-2-amine
CID 62465932
N-ethyl-2-[methyl-[[2-(propylamino)-4-pyridinyl]methyl]amino]acetamide
CID 62465711
3-[cyclopropyl-[[2-(propylamino)-4-pyridinyl]methyl]amino]propanenitrile
CID 62470702

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[[2-(propylamino)-4-pyridinyl]methyl]amino]cyclohexan-1-ol?
The IUPAC name of 2-[methyl-[[2-(propylamino)-4-pyridinyl]methyl]amino]cyclohexan-1-ol (CID 102636839) is 2-[methyl-[[2-(propylamino)-4-pyridinyl]methyl]amino]cyclohexan-1-ol.
What is the SMILES notation for 2-[methyl-[[2-(propylamino)-4-pyridinyl]methyl]amino]cyclohexan-1-ol?
The canonical SMILES for 2-[methyl-[[2-(propylamino)-4-pyridinyl]methyl]amino]cyclohexan-1-ol is CCCNc1cc(CN(C)C2CCCCC2O)ccn1.
What is the InChIKey of 2-[methyl-[[2-(propylamino)-4-pyridinyl]methyl]amino]cyclohexan-1-ol?
The InChIKey is SOAIVRZMMJNSJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-3-9-17-16-11-13(8-10-18-16)12-19(2)14-6-4-5-7-15(14)20/h8,10-11,14-15,20H,3-7,9,12H2,1-2H3,(H,17,18).
What are the key properties of 2-[methyl-[[2-(propylamino)-4-pyridinyl]methyl]amino]cyclohexan-1-ol?
2-[methyl-[[2-(propylamino)-4-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)-4-pyridinyl]methyl]amino]cyclohexan-1-ol is sourced from PubChem (CID 102636839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).