4-methyl-1-[[4-(propylamino)oxan-3-yl]methyl]azepan-4-ol

C16H32N2O2 — CID 107408715

IUPAC4-methyl-1-[[4-(propylamino)oxan-3-yl]methyl]azepan-4-ol
SMILESCCCNC1CCOCC1CN1CCCC(C)(O)CC1
InChIInChI=1S/C16H32N2O2/c1-3-8-17-15-5-11-20-13-14(15)12-18-9-4-6-16(2,19)7-10-18/h14-15,17,19H,3-13H2,1-2H3
InChIKeyYVUQDQKGWPVPSQ-UHFFFAOYSA-N
MW284.44 g/mol
LogP1.63
Rot. Bonds5

About 4-methyl-1-[[4-(propylamino)oxan-3-yl]methyl]azepan-4-ol

4-methyl-1-[[4-(propylamino)oxan-3-yl]methyl]azepan-4-ol (PubChem CID 107408715) has the molecular formula C16H32N2O2 and a molecular weight of 284.44 g/mol. Its IUPAC name is 4-methyl-1-[[4-(propylamino)oxan-3-yl]methyl]azepan-4-ol.

Molecular Properties

Compound Name4-methyl-1-[[4-(propylamino)oxan-3-yl]methyl]azepan-4-ol
PubChem CID107408715
Molecular FormulaC16H32N2O2
Molecular Weight284.44 g/mol
Exact Mass284.25
IUPAC Name4-methyl-1-[[4-(propylamino)oxan-3-yl]methyl]azepan-4-ol
SMILESCCCNC1CCOCC1CN1CCCC(C)(O)CC1
InChIInChI=1S/C16H32N2O2/c1-3-8-17-15-5-11-20-13-14(15)12-18-9-4-6-16(2,19)7-10-18/h14-15,17,19H,3-13H2,1-2H3
InChIKeyYVUQDQKGWPVPSQ-UHFFFAOYSA-N
XLogP1.63
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.44
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-methyl-1-[[4-(propylamino)oxan-3-yl]methyl]azepan-4-ol 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

4-methyl-1-[[2-(propylamino)cyclohexyl]methyl]azepan-4-ol
CID 107408771
4-methyl-1-[[5-methyl-2-(propylamino)cyclohexyl]methyl]piperidin-4-ol
CID 81116004
N,N-dimethyl-1-[[4-(propylamino)oxan-3-yl]methyl]piperidin-4-amine
CID 103058865
3-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-ylmethyl)-N-propyloxan-4-amine
CID 103060560
N-propyl-3-[[3-(trifluoromethyl)piperidin-1-yl]methyl]oxan-4-amine
CID 103060409
N-ethyl-3-[(3-methoxy-3-methylpiperidin-1-yl)methyl]oxan-4-amine
CID 107395161
[4-[[4-(propylamino)oxan-3-yl]methyl]morpholin-3-yl]methanol
CID 103060941
3-[[methyl(2-pyrrolidin-1-ylethyl)amino]methyl]-N-propyloxan-4-amine
CID 103060094
2-(1,4-oxazepan-4-ylmethyl)-N-propylcycloheptan-1-amine
CID 55139983
N-ethyl-3-[(4-propylpiperidin-1-yl)methyl]oxan-4-amine
CID 103059033
N-propyl-4-[(4-propylazepan-1-yl)methyl]oxolan-3-amine
CID 66255259
2-[(4,4-dimethylpiperidin-1-yl)methyl]-4-methyl-N-propylcyclohexan-1-amine
CID 63495442

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[[4-(propylamino)oxan-3-yl]methyl]azepan-4-ol?
The IUPAC name of 4-methyl-1-[[4-(propylamino)oxan-3-yl]methyl]azepan-4-ol (CID 107408715) is 4-methyl-1-[[4-(propylamino)oxan-3-yl]methyl]azepan-4-ol.
What is the SMILES notation for 4-methyl-1-[[4-(propylamino)oxan-3-yl]methyl]azepan-4-ol?
The canonical SMILES for 4-methyl-1-[[4-(propylamino)oxan-3-yl]methyl]azepan-4-ol is CCCNC1CCOCC1CN1CCCC(C)(O)CC1.
What is the InChIKey of 4-methyl-1-[[4-(propylamino)oxan-3-yl]methyl]azepan-4-ol?
The InChIKey is YVUQDQKGWPVPSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O2/c1-3-8-17-15-5-11-20-13-14(15)12-18-9-4-6-16(2,19)7-10-18/h14-15,17,19H,3-13H2,1-2H3.
What are the key properties of 4-methyl-1-[[4-(propylamino)oxan-3-yl]methyl]azepan-4-ol?
4-methyl-1-[[4-(propylamino)oxan-3-yl]methyl]azepan-4-ol has a molecular weight of 284.44 g/mol, XLogP of 1.63, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[[4-(propylamino)oxan-3-yl]methyl]azepan-4-ol is sourced from PubChem (CID 107408715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).