4-methoxy-1-(oxan-3-yl)-N-propylpentan-1-amine

C14H29NO2 — CID 107139354

IUPAC4-methoxy-1-(oxan-3-yl)-N-propylpentan-1-amine
SMILESCCCNC(CCC(C)OC)C1CCCOC1
InChIInChI=1S/C14H29NO2/c1-4-9-15-14(8-7-12(2)16-3)13-6-5-10-17-11-13/h12-15H,4-11H2,1-3H3
InChIKeyHPDKMOKSZQKUKK-UHFFFAOYSA-N
MW243.39 g/mol
LogP2.60
Rot. Bonds8

About 4-methoxy-1-(oxan-3-yl)-N-propylpentan-1-amine

4-methoxy-1-(oxan-3-yl)-N-propylpentan-1-amine (PubChem CID 107139354) has the molecular formula C14H29NO2 and a molecular weight of 243.39 g/mol. Its IUPAC name is 4-methoxy-1-(oxan-3-yl)-N-propylpentan-1-amine.

Molecular Properties

Compound Name4-methoxy-1-(oxan-3-yl)-N-propylpentan-1-amine
PubChem CID107139354
Molecular FormulaC14H29NO2
Molecular Weight243.39 g/mol
Exact Mass243.22
IUPAC Name4-methoxy-1-(oxan-3-yl)-N-propylpentan-1-amine
SMILESCCCNC(CCC(C)OC)C1CCCOC1
InChIInChI=1S/C14H29NO2/c1-4-9-15-14(8-7-12(2)16-3)13-6-5-10-17-11-13/h12-15H,4-11H2,1-3H3
InChIKeyHPDKMOKSZQKUKK-UHFFFAOYSA-N
XLogP2.60
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

CID 103025141
CID 103025141
CID 103027181
CID 103027181
CID 103027183
CID 103027183
CID 103028542
CID 103028542
CID 103028543
CID 103028543
CID 103028564
CID 103028564
CID 103028606
CID 103028606
CID 103028610
CID 103028610
CID 103028611
CID 103028611
CID 103028612
CID 103028612
CID 103028613
CID 103028613
CID 103028615
CID 103028615

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-1-(oxan-3-yl)-N-propylpentan-1-amine?
The IUPAC name of 4-methoxy-1-(oxan-3-yl)-N-propylpentan-1-amine (CID 107139354) is 4-methoxy-1-(oxan-3-yl)-N-propylpentan-1-amine.
What is the SMILES notation for 4-methoxy-1-(oxan-3-yl)-N-propylpentan-1-amine?
The canonical SMILES for 4-methoxy-1-(oxan-3-yl)-N-propylpentan-1-amine is CCCNC(CCC(C)OC)C1CCCOC1.
What is the InChIKey of 4-methoxy-1-(oxan-3-yl)-N-propylpentan-1-amine?
The InChIKey is HPDKMOKSZQKUKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO2/c1-4-9-15-14(8-7-12(2)16-3)13-6-5-10-17-11-13/h12-15H,4-11H2,1-3H3.
What are the key properties of 4-methoxy-1-(oxan-3-yl)-N-propylpentan-1-amine?
4-methoxy-1-(oxan-3-yl)-N-propylpentan-1-amine has a molecular weight of 243.39 g/mol, XLogP of 2.60, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-1-(oxan-3-yl)-N-propylpentan-1-amine is sourced from PubChem (CID 107139354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).