3-(2-methyl-1,4-oxazepan-4-yl)-2-(propylamino)propan-1-ol

C12H26N2O2 — CID 64791300

IUPAC3-(2-methyl-1,4-oxazepan-4-yl)-2-(propylamino)propan-1-ol
SMILESCCCNC(CO)CN1CCCOC(C)C1
InChIInChI=1S/C12H26N2O2/c1-3-5-13-12(10-15)9-14-6-4-7-16-11(2)8-14/h11-13,15H,3-10H2,1-2H3
InChIKeyUPPBFXWIOLENND-UHFFFAOYSA-N
MW230.35 g/mol
LogP0.46
Rot. Bonds6

About 3-(2-methyl-1,4-oxazepan-4-yl)-2-(propylamino)propan-1-ol

3-(2-methyl-1,4-oxazepan-4-yl)-2-(propylamino)propan-1-ol (PubChem CID 64791300) has the molecular formula C12H26N2O2 and a molecular weight of 230.35 g/mol. Its IUPAC name is 3-(2-methyl-1,4-oxazepan-4-yl)-2-(propylamino)propan-1-ol.

Molecular Properties

Compound Name3-(2-methyl-1,4-oxazepan-4-yl)-2-(propylamino)propan-1-ol
PubChem CID64791300
Molecular FormulaC12H26N2O2
Molecular Weight230.35 g/mol
Exact Mass230.20
IUPAC Name3-(2-methyl-1,4-oxazepan-4-yl)-2-(propylamino)propan-1-ol
SMILESCCCNC(CO)CN1CCCOC(C)C1
InChIInChI=1S/C12H26N2O2/c1-3-5-13-12(10-15)9-14-6-4-7-16-11(2)8-14/h11-13,15H,3-10H2,1-2H3
InChIKeyUPPBFXWIOLENND-UHFFFAOYSA-N
XLogP0.46
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-(2-methyl-1,4-oxazepan-4-yl)-2-(propylamino)propan-1-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

1-(2-methyl-1,4-oxazepan-4-yl)-N-propylbutan-2-amine
CID 62989010
3-(ethylamino)-4-(2-methyl-1,4-oxazepan-4-yl)butan-1-ol
CID 64897757
2-(propylamino)-3-pyrrolidin-1-ylpropan-1-ol
CID 64796269
3-(2-ethylmorpholin-4-yl)-2-(propylamino)propan-1-ol
CID 64796406
2-(methylamino)-3-(2-methylmorpholin-4-yl)propan-1-ol
CID 64797801
3-(4-methylazepan-1-yl)-2-(propylamino)propan-1-ol
CID 64789180
1,3-bis[(2S)-2-methyl-1,4-oxazepan-4-yl]propan-2-ol
CID 124829213
(2R)-1-(2-methyl-1,4-oxazepan-4-yl)butan-2-ol
CID 130161382
3-(4-ethylazepan-1-yl)-2-(propylamino)propan-1-ol
CID 64811056
4-(azocan-1-yl)-2-(propylamino)butan-1-ol
CID 64798605
3-(2,6-dimethylmorpholin-4-yl)-2-(ethylamino)propan-1-ol
CID 64796723
(2R)-1,1,1-trifluoro-3-[(2S)-2-methyl-1,4-oxazepan-4-yl]propan-2-ol
CID 129412710

Frequently Asked Questions

What is the IUPAC name of 3-(2-methyl-1,4-oxazepan-4-yl)-2-(propylamino)propan-1-ol?
The IUPAC name of 3-(2-methyl-1,4-oxazepan-4-yl)-2-(propylamino)propan-1-ol (CID 64791300) is 3-(2-methyl-1,4-oxazepan-4-yl)-2-(propylamino)propan-1-ol.
What is the SMILES notation for 3-(2-methyl-1,4-oxazepan-4-yl)-2-(propylamino)propan-1-ol?
The canonical SMILES for 3-(2-methyl-1,4-oxazepan-4-yl)-2-(propylamino)propan-1-ol is CCCNC(CO)CN1CCCOC(C)C1.
What is the InChIKey of 3-(2-methyl-1,4-oxazepan-4-yl)-2-(propylamino)propan-1-ol?
The InChIKey is UPPBFXWIOLENND-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O2/c1-3-5-13-12(10-15)9-14-6-4-7-16-11(2)8-14/h11-13,15H,3-10H2,1-2H3.
What are the key properties of 3-(2-methyl-1,4-oxazepan-4-yl)-2-(propylamino)propan-1-ol?
3-(2-methyl-1,4-oxazepan-4-yl)-2-(propylamino)propan-1-ol has a molecular weight of 230.35 g/mol, XLogP of 0.46, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methyl-1,4-oxazepan-4-yl)-2-(propylamino)propan-1-ol is sourced from PubChem (CID 64791300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).