6-[[2-[(cyclopropylamino)methyl]-6-methyl-3-pyridinyl]oxy]hexan-1-ol

C16H26N2O2 — CID 107702712

IUPAC6-[[2-[(cyclopropylamino)methyl]-6-methyl-3-pyridinyl]oxy]hexan-1-ol
SMILESCc1ccc(OCCCCCCO)c(CNC2CC2)n1
InChIInChI=1S/C16H26N2O2/c1-13-6-9-16(20-11-5-3-2-4-10-19)15(18-13)12-17-14-7-8-14/h6,9,14,17,19H,2-5,7-8,10-12H2,1H3
InChIKeyHWDGZXSVTCVIMY-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.57
Rot. Bonds10

About 6-[[2-[(cyclopropylamino)methyl]-6-methyl-3-pyridinyl]oxy]hexan-1-ol

6-[[2-[(cyclopropylamino)methyl]-6-methyl-3-pyridinyl]oxy]hexan-1-ol (PubChem CID 107702712) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 6-[[2-[(cyclopropylamino)methyl]-6-methyl-3-pyridinyl]oxy]hexan-1-ol.

Molecular Properties

Compound Name6-[[2-[(cyclopropylamino)methyl]-6-methyl-3-pyridinyl]oxy]hexan-1-ol
PubChem CID107702712
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name6-[[2-[(cyclopropylamino)methyl]-6-methyl-3-pyridinyl]oxy]hexan-1-ol
SMILESCc1ccc(OCCCCCCO)c(CNC2CC2)n1
InChIInChI=1S/C16H26N2O2/c1-13-6-9-16(20-11-5-3-2-4-10-19)15(18-13)12-17-14-7-8-14/h6,9,14,17,19H,2-5,7-8,10-12H2,1H3
InChIKeyHWDGZXSVTCVIMY-UHFFFAOYSA-N
XLogP2.57
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 6-[[2-[(cyclopropylamino)methyl]-6-methyl-3-pyridinyl]oxy]hexan-1-ol with MolForge

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Related Compounds

N-[[3-(3-ethylsulfonylpropoxy)-6-methyl-2-pyridinyl]methyl]cyclopropanamine
CID 79158766
4-[[2-[(cyclopropylamino)methyl]-6-methyl-3-pyridinyl]oxy]-N,N-dimethylbutanamide
CID 79158444
1-[[2-[(cyclopropylamino)methyl]-6-methyl-3-pyridinyl]oxy]-2-methylpropan-2-ol
CID 79158447
N-[(3-methoxy-6-methyl-2-pyridinyl)methyl]cyclopropanamine
CID 79156389
4-[(2-ethyl-6-methyl-3-pyridinyl)oxy]butan-1-ol
CID 103175334
N-[[6-methyl-3-[(6-methyl-2-pyridinyl)methoxy]-2-pyridinyl]methyl]cyclopropanamine
CID 79262671
4-[[2-[(cyclopropylamino)methyl]-6-methyl-3-pyridinyl]oxy]-2,2-dimethylbutanenitrile
CID 79156387
N-[[3-[(4-bromophenyl)methoxy]-6-methyl-2-pyridinyl]methyl]cyclopropanamine
CID 79158289
propan-2-yl 2-[[2-[(cyclopropylamino)methyl]-6-methyl-3-pyridinyl]oxy]acetate
CID 79157755
N-[[3-(difluoromethoxy)-6-methyl-2-pyridinyl]methyl]cyclopropanamine
CID 79158454
2-[[2-[(cyclopropylamino)methyl]-6-methyl-3-pyridinyl]oxy]-N-propylacetamide
CID 79158938
2-[[2-[(cyclopropylamino)methyl]-6-methyl-3-pyridinyl]oxy]cyclohexan-1-ol
CID 79158106

Frequently Asked Questions

What is the IUPAC name of 6-[[2-[(cyclopropylamino)methyl]-6-methyl-3-pyridinyl]oxy]hexan-1-ol?
The IUPAC name of 6-[[2-[(cyclopropylamino)methyl]-6-methyl-3-pyridinyl]oxy]hexan-1-ol (CID 107702712) is 6-[[2-[(cyclopropylamino)methyl]-6-methyl-3-pyridinyl]oxy]hexan-1-ol.
What is the SMILES notation for 6-[[2-[(cyclopropylamino)methyl]-6-methyl-3-pyridinyl]oxy]hexan-1-ol?
The canonical SMILES for 6-[[2-[(cyclopropylamino)methyl]-6-methyl-3-pyridinyl]oxy]hexan-1-ol is Cc1ccc(OCCCCCCO)c(CNC2CC2)n1.
What is the InChIKey of 6-[[2-[(cyclopropylamino)methyl]-6-methyl-3-pyridinyl]oxy]hexan-1-ol?
The InChIKey is HWDGZXSVTCVIMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-13-6-9-16(20-11-5-3-2-4-10-19)15(18-13)12-17-14-7-8-14/h6,9,14,17,19H,2-5,7-8,10-12H2,1H3.
What are the key properties of 6-[[2-[(cyclopropylamino)methyl]-6-methyl-3-pyridinyl]oxy]hexan-1-ol?
6-[[2-[(cyclopropylamino)methyl]-6-methyl-3-pyridinyl]oxy]hexan-1-ol has a molecular weight of 278.40 g/mol, XLogP of 2.57, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[2-[(cyclopropylamino)methyl]-6-methyl-3-pyridinyl]oxy]hexan-1-ol is sourced from PubChem (CID 107702712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).