1-methoxy-5-(oxolan-2-yl)-N-propylpentan-3-amine

C13H27NO2 — CID 65164444

IUPAC1-methoxy-5-(oxolan-2-yl)-N-propylpentan-3-amine
SMILESCCCNC(CCOC)CCC1CCCO1
InChIInChI=1S/C13H27NO2/c1-3-9-14-12(8-11-15-2)6-7-13-5-4-10-16-13/h12-14H,3-11H2,1-2H3
InChIKeyOMUOHERZXVPUHJ-UHFFFAOYSA-N
MW229.36 g/mol
LogP2.35
Rot. Bonds9

About 1-methoxy-5-(oxolan-2-yl)-N-propylpentan-3-amine

1-methoxy-5-(oxolan-2-yl)-N-propylpentan-3-amine (PubChem CID 65164444) has the molecular formula C13H27NO2 and a molecular weight of 229.36 g/mol. Its IUPAC name is 1-methoxy-5-(oxolan-2-yl)-N-propylpentan-3-amine.

Molecular Properties

Compound Name1-methoxy-5-(oxolan-2-yl)-N-propylpentan-3-amine
PubChem CID65164444
Molecular FormulaC13H27NO2
Molecular Weight229.36 g/mol
Exact Mass229.20
IUPAC Name1-methoxy-5-(oxolan-2-yl)-N-propylpentan-3-amine
SMILESCCCNC(CCOC)CCC1CCCO1
InChIInChI=1S/C13H27NO2/c1-3-9-14-12(8-11-15-2)6-7-13-5-4-10-16-13/h12-14H,3-11H2,1-2H3
InChIKeyOMUOHERZXVPUHJ-UHFFFAOYSA-N
XLogP2.35
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.36
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-methoxy-5-(oxolan-2-yl)-N-propylpentan-3-amine 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-(oxolan-2-yl)-N-propyloctan-3-amine
CID 115837005
1-methylsulfanyl-4-(oxolan-2-yl)-N-propylbutan-2-amine
CID 65164508
1-ethylsulfanyl-4-(oxolan-2-yl)-N-propylbutan-2-amine
CID 65164220
6-(oxolan-2-yl)-1-propoxy-N-propylhexan-3-amine
CID 105156636
6-methoxy-6-methyl-1-(oxan-2-yl)-N-propylheptan-3-amine
CID 103032094
1-(2,2-difluoroethoxy)-6-(oxolan-2-yl)-N-propylhexan-3-amine
CID 103149889
4-(oxolan-2-yl)-N-propyl-1-(thian-4-yl)butan-2-amine
CID 105156823
5-(oxolan-2-yl)-1-propoxy-N-propylpentan-2-amine
CID 65164347
1-(oxan-2-yl)-N-propylhex-5-en-3-amine
CID 115815083
N-ethyl-1-(oxolan-2-yl)heptan-3-amine
CID 79404378
N-[2-(oxolan-2-yl)ethyl]undecan-6-amine
CID 63452863
4-(oxolan-2-yl)-1-phenoxy-N-propylbutan-2-amine
CID 65164248

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-5-(oxolan-2-yl)-N-propylpentan-3-amine?
The IUPAC name of 1-methoxy-5-(oxolan-2-yl)-N-propylpentan-3-amine (CID 65164444) is 1-methoxy-5-(oxolan-2-yl)-N-propylpentan-3-amine.
What is the SMILES notation for 1-methoxy-5-(oxolan-2-yl)-N-propylpentan-3-amine?
The canonical SMILES for 1-methoxy-5-(oxolan-2-yl)-N-propylpentan-3-amine is CCCNC(CCOC)CCC1CCCO1.
What is the InChIKey of 1-methoxy-5-(oxolan-2-yl)-N-propylpentan-3-amine?
The InChIKey is OMUOHERZXVPUHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO2/c1-3-9-14-12(8-11-15-2)6-7-13-5-4-10-16-13/h12-14H,3-11H2,1-2H3.
What are the key properties of 1-methoxy-5-(oxolan-2-yl)-N-propylpentan-3-amine?
1-methoxy-5-(oxolan-2-yl)-N-propylpentan-3-amine has a molecular weight of 229.36 g/mol, XLogP of 2.35, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-5-(oxolan-2-yl)-N-propylpentan-3-amine is sourced from PubChem (CID 65164444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).