1-(4-ethoxyoxan-4-yl)-4-methyl-N-propylpentan-1-amine

C16H33NO2 — CID 116765966

IUPAC1-(4-ethoxyoxan-4-yl)-4-methyl-N-propylpentan-1-amine
SMILESCCCNC(CCC(C)C)C1(OCC)CCOCC1
InChIInChI=1S/C16H33NO2/c1-5-11-17-15(8-7-14(3)4)16(19-6-2)9-12-18-13-10-16/h14-15,17H,5-13H2,1-4H3
InChIKeyLWJNLWOUBZNZDW-UHFFFAOYSA-N
MW271.44 g/mol
LogP3.38
Rot. Bonds9

About 1-(4-ethoxyoxan-4-yl)-4-methyl-N-propylpentan-1-amine

1-(4-ethoxyoxan-4-yl)-4-methyl-N-propylpentan-1-amine (PubChem CID 116765966) has the molecular formula C16H33NO2 and a molecular weight of 271.44 g/mol. Its IUPAC name is 1-(4-ethoxyoxan-4-yl)-4-methyl-N-propylpentan-1-amine.

Molecular Properties

Compound Name1-(4-ethoxyoxan-4-yl)-4-methyl-N-propylpentan-1-amine
PubChem CID116765966
Molecular FormulaC16H33NO2
Molecular Weight271.44 g/mol
Exact Mass271.25
IUPAC Name1-(4-ethoxyoxan-4-yl)-4-methyl-N-propylpentan-1-amine
SMILESCCCNC(CCC(C)C)C1(OCC)CCOCC1
InChIInChI=1S/C16H33NO2/c1-5-11-17-15(8-7-14(3)4)16(19-6-2)9-12-18-13-10-16/h14-15,17H,5-13H2,1-4H3
InChIKeyLWJNLWOUBZNZDW-UHFFFAOYSA-N
XLogP3.38
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.44
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-methoxyoxan-4-yl)-4-methyl-N-propylpentan-1-amine
CID 116765110
1-(4-ethoxyoxan-4-yl)-N-methylpentan-1-amine
CID 116765698
N-[cyclobutyl-(4-ethoxyoxan-4-yl)methyl]propan-1-amine
CID 116766050
1-(4-ethoxyoxan-4-yl)-N-methylheptan-1-amine
CID 116765630
1-(4-ethoxyoxan-4-yl)-N-ethylpropan-1-amine
CID 116765788
1-(1-ethoxycyclopentyl)-4-(oxolan-2-yl)-N-propylbutan-1-amine
CID 116762435
[1-(4-ethoxyoxan-4-yl)-3-methylhexyl]hydrazine
CID 105276851
N-ethyl-1-(4-methoxyoxan-4-yl)-5-methylhexan-1-amine
CID 116765070
N-[1-(4-ethoxyoxan-4-yl)-2-(1-methylpyrazol-4-yl)ethyl]propan-1-amine
CID 116765990
4-methoxy-1-(4-methoxyoxan-4-yl)-4-methyl-N-propylpentan-1-amine
CID 103036116
1-(1-ethoxycyclohexyl)-N-propylhex-5-en-1-amine
CID 116764224
1-(1-ethoxycyclohexyl)-5,5,5-trifluoro-N-propylpentan-1-amine
CID 116764230

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxyoxan-4-yl)-4-methyl-N-propylpentan-1-amine?
The IUPAC name of 1-(4-ethoxyoxan-4-yl)-4-methyl-N-propylpentan-1-amine (CID 116765966) is 1-(4-ethoxyoxan-4-yl)-4-methyl-N-propylpentan-1-amine.
What is the SMILES notation for 1-(4-ethoxyoxan-4-yl)-4-methyl-N-propylpentan-1-amine?
The canonical SMILES for 1-(4-ethoxyoxan-4-yl)-4-methyl-N-propylpentan-1-amine is CCCNC(CCC(C)C)C1(OCC)CCOCC1.
What is the InChIKey of 1-(4-ethoxyoxan-4-yl)-4-methyl-N-propylpentan-1-amine?
The InChIKey is LWJNLWOUBZNZDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33NO2/c1-5-11-17-15(8-7-14(3)4)16(19-6-2)9-12-18-13-10-16/h14-15,17H,5-13H2,1-4H3.
What are the key properties of 1-(4-ethoxyoxan-4-yl)-4-methyl-N-propylpentan-1-amine?
1-(4-ethoxyoxan-4-yl)-4-methyl-N-propylpentan-1-amine has a molecular weight of 271.44 g/mol, XLogP of 3.38, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxyoxan-4-yl)-4-methyl-N-propylpentan-1-amine is sourced from PubChem (CID 116765966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).