[1-[[3-[(cyclopropylamino)methyl]oxan-3-yl]methyl]azepan-2-yl]methanol

C17H32N2O2 — CID 116638187

IUPAC[1-[[3-[(cyclopropylamino)methyl]oxan-3-yl]methyl]azepan-2-yl]methanol
SMILESOCC1CCCCCN1CC1(CNC2CC2)CCCOC1
InChIInChI=1S/C17H32N2O2/c20-11-16-5-2-1-3-9-19(16)13-17(8-4-10-21-14-17)12-18-15-6-7-15/h15-16,18,20H,1-14H2
InChIKeyTWYWVLFJURRKDT-UHFFFAOYSA-N
MW296.45 g/mol
LogP1.77
Rot. Bonds6

About [1-[[3-[(cyclopropylamino)methyl]oxan-3-yl]methyl]azepan-2-yl]methanol

[1-[[3-[(cyclopropylamino)methyl]oxan-3-yl]methyl]azepan-2-yl]methanol (PubChem CID 116638187) has the molecular formula C17H32N2O2 and a molecular weight of 296.45 g/mol. Its IUPAC name is [1-[[3-[(cyclopropylamino)methyl]oxan-3-yl]methyl]azepan-2-yl]methanol.

Molecular Properties

Compound Name[1-[[3-[(cyclopropylamino)methyl]oxan-3-yl]methyl]azepan-2-yl]methanol
PubChem CID116638187
Molecular FormulaC17H32N2O2
Molecular Weight296.45 g/mol
Exact Mass296.25
IUPAC Name[1-[[3-[(cyclopropylamino)methyl]oxan-3-yl]methyl]azepan-2-yl]methanol
SMILESOCC1CCCCCN1CC1(CNC2CC2)CCCOC1
InChIInChI=1S/C17H32N2O2/c20-11-16-5-2-1-3-9-19(16)13-17(8-4-10-21-14-17)12-18-15-6-7-15/h15-16,18,20H,1-14H2
InChIKeyTWYWVLFJURRKDT-UHFFFAOYSA-N
XLogP1.77
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.45
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [1-[[3-[(cyclopropylamino)methyl]oxan-3-yl]methyl]azepan-2-yl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[1-[[1-[(cyclopropylamino)methyl]cyclopentyl]methyl]piperidin-2-yl]methanol
CID 62259143
N-[[3-[(2-propylpiperidin-1-yl)methyl]oxan-3-yl]methyl]cyclopropanamine
CID 83045766
[1-[[3-[(propan-2-ylamino)methyl]oxan-3-yl]methyl]piperidin-2-yl]methanol
CID 63740867
[1-[[3-[(tert-butylamino)methyl]oxan-3-yl]methyl]piperidin-2-yl]methanol
CID 63740868
2-[1-[[4-[(cyclopropylamino)methyl]oxan-4-yl]methyl]piperidin-2-yl]ethanol
CID 62390771
1-[3-[(2-ethylazepan-1-yl)methyl]oxan-3-yl]-N-methylmethanamine
CID 104691941
[1-[[4-(hydroxymethyl)oxan-4-yl]methyl]azepan-2-yl]methanol
CID 116638263
N-[[3-[(3-methylmorpholin-4-yl)methyl]oxan-3-yl]methyl]cyclopropanamine
CID 63741363
1-[[3-[(cyclopropylamino)methyl]oxan-3-yl]methyl]pyrrolidine-3,4-diol
CID 106674069
N-[[3-[(2-ethylpiperidin-1-yl)methyl]oxan-3-yl]methyl]-2-methylpropan-2-amine
CID 63739412
N-[[3-[(3,4-dimethylpyrrolidin-1-yl)methyl]oxan-3-yl]methyl]cyclopropanamine
CID 79184590
N-[[3-[(3,5-dimethylpiperidin-1-yl)methyl]oxan-3-yl]methyl]cyclopropanamine
CID 63740628

Frequently Asked Questions

What is the IUPAC name of [1-[[3-[(cyclopropylamino)methyl]oxan-3-yl]methyl]azepan-2-yl]methanol?
The IUPAC name of [1-[[3-[(cyclopropylamino)methyl]oxan-3-yl]methyl]azepan-2-yl]methanol (CID 116638187) is [1-[[3-[(cyclopropylamino)methyl]oxan-3-yl]methyl]azepan-2-yl]methanol.
What is the SMILES notation for [1-[[3-[(cyclopropylamino)methyl]oxan-3-yl]methyl]azepan-2-yl]methanol?
The canonical SMILES for [1-[[3-[(cyclopropylamino)methyl]oxan-3-yl]methyl]azepan-2-yl]methanol is OCC1CCCCCN1CC1(CNC2CC2)CCCOC1.
What is the InChIKey of [1-[[3-[(cyclopropylamino)methyl]oxan-3-yl]methyl]azepan-2-yl]methanol?
The InChIKey is TWYWVLFJURRKDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O2/c20-11-16-5-2-1-3-9-19(16)13-17(8-4-10-21-14-17)12-18-15-6-7-15/h15-16,18,20H,1-14H2.
What are the key properties of [1-[[3-[(cyclopropylamino)methyl]oxan-3-yl]methyl]azepan-2-yl]methanol?
[1-[[3-[(cyclopropylamino)methyl]oxan-3-yl]methyl]azepan-2-yl]methanol has a molecular weight of 296.45 g/mol, XLogP of 1.77, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[3-[(cyclopropylamino)methyl]oxan-3-yl]methyl]azepan-2-yl]methanol is sourced from PubChem (CID 116638187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).