1-(oxan-3-yl)-4-(oxolan-2-yl)-N-propylbutan-1-amine

C16H31NO2 — CID 65333769

IUPAC1-(oxan-3-yl)-4-(oxolan-2-yl)-N-propylbutan-1-amine
SMILESCCCNC(CCCC1CCCO1)C1CCCOC1
InChIInChI=1S/C16H31NO2/c1-2-10-17-16(14-6-4-11-18-13-14)9-3-7-15-8-5-12-19-15/h14-17H,2-13H2,1H3
InChIKeyFTSMCNSXPNPZGQ-UHFFFAOYSA-N
MW269.43 g/mol
LogP3.13
Rot. Bonds8

About 1-(oxan-3-yl)-4-(oxolan-2-yl)-N-propylbutan-1-amine

1-(oxan-3-yl)-4-(oxolan-2-yl)-N-propylbutan-1-amine (PubChem CID 65333769) has the molecular formula C16H31NO2 and a molecular weight of 269.43 g/mol. Its IUPAC name is 1-(oxan-3-yl)-4-(oxolan-2-yl)-N-propylbutan-1-amine.

Molecular Properties

Compound Name1-(oxan-3-yl)-4-(oxolan-2-yl)-N-propylbutan-1-amine
PubChem CID65333769
Molecular FormulaC16H31NO2
Molecular Weight269.43 g/mol
Exact Mass269.24
IUPAC Name1-(oxan-3-yl)-4-(oxolan-2-yl)-N-propylbutan-1-amine
SMILESCCCNC(CCCC1CCCO1)C1CCCOC1
InChIInChI=1S/C16H31NO2/c1-2-10-17-16(14-6-4-11-18-13-14)9-3-7-15-8-5-12-19-15/h14-17H,2-13H2,1H3
InChIKeyFTSMCNSXPNPZGQ-UHFFFAOYSA-N
XLogP3.13
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(oxan-2-yl)-1-(oxolan-3-yl)-N-propylpropan-1-amine
CID 115856676
1-(oxan-3-yl)-N-propyldecan-1-amine
CID 65332318
1,4-bis(oxolan-2-yl)-N-propylbutan-1-amine
CID 65328878
N-methyl-4-(oxolan-2-yl)-1-(oxolan-3-yl)butan-1-amine
CID 65330358
1-(2,2-dimethylcyclopropyl)-4-(oxolan-2-yl)-N-propylbutan-1-amine
CID 107004583
5,5,5-trifluoro-1-(oxan-3-yl)-N-propylpentan-1-amine
CID 113327066
4-methylsulfonyl-1-(oxan-3-yl)-N-propylbutan-1-amine
CID 65333768
1-(oxan-3-yl)-N-propyloct-7-en-1-amine
CID 107009211
1-(5-methyloxolan-2-yl)-4-(oxolan-2-yl)-N-propylbutan-1-amine
CID 104993230
N-ethyl-1-(oxan-3-yl)pentan-1-amine
CID 65331760
1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-3-(oxolan-2-yl)-N-propylpropan-1-amine
CID 115998319
1-cyclopentyl-5-(oxolan-2-yl)-N-propylpentan-2-amine
CID 104993245

Frequently Asked Questions

What is the IUPAC name of 1-(oxan-3-yl)-4-(oxolan-2-yl)-N-propylbutan-1-amine?
The IUPAC name of 1-(oxan-3-yl)-4-(oxolan-2-yl)-N-propylbutan-1-amine (CID 65333769) is 1-(oxan-3-yl)-4-(oxolan-2-yl)-N-propylbutan-1-amine.
What is the SMILES notation for 1-(oxan-3-yl)-4-(oxolan-2-yl)-N-propylbutan-1-amine?
The canonical SMILES for 1-(oxan-3-yl)-4-(oxolan-2-yl)-N-propylbutan-1-amine is CCCNC(CCCC1CCCO1)C1CCCOC1.
What is the InChIKey of 1-(oxan-3-yl)-4-(oxolan-2-yl)-N-propylbutan-1-amine?
The InChIKey is FTSMCNSXPNPZGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO2/c1-2-10-17-16(14-6-4-11-18-13-14)9-3-7-15-8-5-12-19-15/h14-17H,2-13H2,1H3.
What are the key properties of 1-(oxan-3-yl)-4-(oxolan-2-yl)-N-propylbutan-1-amine?
1-(oxan-3-yl)-4-(oxolan-2-yl)-N-propylbutan-1-amine has a molecular weight of 269.43 g/mol, XLogP of 3.13, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxan-3-yl)-4-(oxolan-2-yl)-N-propylbutan-1-amine is sourced from PubChem (CID 65333769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).