1,4-bis(oxolan-2-yl)-N-propylbutan-1-amine

C15H29NO2 — CID 65328878

IUPAC1,4-bis(oxolan-2-yl)-N-propylbutan-1-amine
SMILESCCCNC(CCCC1CCCO1)C1CCCO1
InChIInChI=1S/C15H29NO2/c1-2-10-16-14(15-9-5-12-18-15)8-3-6-13-7-4-11-17-13/h13-16H,2-12H2,1H3
InChIKeyUOSFMNNGKPXZKF-UHFFFAOYSA-N
MW255.40 g/mol
LogP2.88
Rot. Bonds8

About 1,4-bis(oxolan-2-yl)-N-propylbutan-1-amine

1,4-bis(oxolan-2-yl)-N-propylbutan-1-amine (PubChem CID 65328878) has the molecular formula C15H29NO2 and a molecular weight of 255.40 g/mol. Its IUPAC name is 1,4-bis(oxolan-2-yl)-N-propylbutan-1-amine.

Molecular Properties

Compound Name1,4-bis(oxolan-2-yl)-N-propylbutan-1-amine
PubChem CID65328878
Molecular FormulaC15H29NO2
Molecular Weight255.40 g/mol
Exact Mass255.22
IUPAC Name1,4-bis(oxolan-2-yl)-N-propylbutan-1-amine
SMILESCCCNC(CCCC1CCCO1)C1CCCO1
InChIInChI=1S/C15H29NO2/c1-2-10-16-14(15-9-5-12-18-15)8-3-6-13-7-4-11-17-13/h13-16H,2-12H2,1H3
InChIKeyUOSFMNNGKPXZKF-UHFFFAOYSA-N
XLogP2.88
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.40
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-methyloxolan-2-yl)-4-(oxolan-2-yl)-N-propylbutan-1-amine
CID 104993230
1-(oxolan-2-yl)-N-propylnonan-1-amine
CID 65328476
1-(2,2-dimethylcyclopropyl)-4-(oxolan-2-yl)-N-propylbutan-1-amine
CID 107004583
1-(oxan-3-yl)-4-(oxolan-2-yl)-N-propylbutan-1-amine
CID 65333769
6-(oxolan-2-yl)-3-propan-2-yl-N-propylhexan-2-amine
CID 65162085
1-cyclopentyl-5-(oxolan-2-yl)-N-propylpentan-2-amine
CID 104993245
6-(oxolan-2-yl)-1-propoxy-N-propylhexan-3-amine
CID 105156636
1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-3-(oxolan-2-yl)-N-propylpropan-1-amine
CID 115998319
5-(oxolan-2-yl)-1-propoxy-N-propylpentan-2-amine
CID 65164347
3-ethyl-1-(oxolan-2-yl)-N-propylpentan-1-amine
CID 82923076
3-methylidene-1-(oxolan-2-yl)-N-propylpentan-1-amine
CID 66037811
1-(oxolan-2-yl)-N-propyloctan-3-amine
CID 115837005

Frequently Asked Questions

What is the IUPAC name of 1,4-bis(oxolan-2-yl)-N-propylbutan-1-amine?
The IUPAC name of 1,4-bis(oxolan-2-yl)-N-propylbutan-1-amine (CID 65328878) is 1,4-bis(oxolan-2-yl)-N-propylbutan-1-amine.
What is the SMILES notation for 1,4-bis(oxolan-2-yl)-N-propylbutan-1-amine?
The canonical SMILES for 1,4-bis(oxolan-2-yl)-N-propylbutan-1-amine is CCCNC(CCCC1CCCO1)C1CCCO1.
What is the InChIKey of 1,4-bis(oxolan-2-yl)-N-propylbutan-1-amine?
The InChIKey is UOSFMNNGKPXZKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO2/c1-2-10-16-14(15-9-5-12-18-15)8-3-6-13-7-4-11-17-13/h13-16H,2-12H2,1H3.
What are the key properties of 1,4-bis(oxolan-2-yl)-N-propylbutan-1-amine?
1,4-bis(oxolan-2-yl)-N-propylbutan-1-amine has a molecular weight of 255.40 g/mol, XLogP of 2.88, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-bis(oxolan-2-yl)-N-propylbutan-1-amine is sourced from PubChem (CID 65328878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).