1-[1-[(5,5-dimethyloxolan-2-yl)methyl]pyrrol-3-yl]-N-propylpropan-1-amine

C17H30N2O — CID 116523001

IUPAC1-[1-[(5,5-dimethyloxolan-2-yl)methyl]pyrrol-3-yl]-N-propylpropan-1-amine
SMILESCCCNC(CC)c1ccn(CC2CCC(C)(C)O2)c1
InChIInChI=1S/C17H30N2O/c1-5-10-18-16(6-2)14-8-11-19(12-14)13-15-7-9-17(3,4)20-15/h8,11-12,15-16,18H,5-7,9-10,13H2,1-4H3
InChIKeyDOZLPHOSJWPLOH-UHFFFAOYSA-N
MW278.44 g/mol
LogP3.90
Rot. Bonds7

About 1-[1-[(5,5-dimethyloxolan-2-yl)methyl]pyrrol-3-yl]-N-propylpropan-1-amine

1-[1-[(5,5-dimethyloxolan-2-yl)methyl]pyrrol-3-yl]-N-propylpropan-1-amine (PubChem CID 116523001) has the molecular formula C17H30N2O and a molecular weight of 278.44 g/mol. Its IUPAC name is 1-[1-[(5,5-dimethyloxolan-2-yl)methyl]pyrrol-3-yl]-N-propylpropan-1-amine.

Molecular Properties

Compound Name1-[1-[(5,5-dimethyloxolan-2-yl)methyl]pyrrol-3-yl]-N-propylpropan-1-amine
PubChem CID116523001
Molecular FormulaC17H30N2O
Molecular Weight278.44 g/mol
Exact Mass278.24
IUPAC Name1-[1-[(5,5-dimethyloxolan-2-yl)methyl]pyrrol-3-yl]-N-propylpropan-1-amine
SMILESCCCNC(CC)c1ccn(CC2CCC(C)(C)O2)c1
InChIInChI=1S/C17H30N2O/c1-5-10-18-16(6-2)14-8-11-19(12-14)13-15-7-9-17(3,4)20-15/h8,11-12,15-16,18H,5-7,9-10,13H2,1-4H3
InChIKeyDOZLPHOSJWPLOH-UHFFFAOYSA-N
XLogP3.90
TPSA26.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(oxan-4-ylmethyl)pyrrol-3-yl]-N-propylbutan-1-amine
CID 79108633
1-[1-[2-(diethylamino)ethyl]pyrrol-3-yl]-N-propylpropan-1-amine
CID 79104740
N-[[1-[(5,5-dimethyloxolan-2-yl)methyl]pyrazol-3-yl]methyl]propan-1-amine
CID 116524241
1-[1-[3-(dimethylamino)propyl]pyrrol-3-yl]-N-propylpropan-1-amine
CID 114526215
1-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrol-3-yl]-N-propylpropan-1-amine
CID 112591101
N-propyl-1-[1-[(2-propyl-1,2,4-triazol-3-yl)methyl]pyrrol-3-yl]propan-1-amine
CID 79109793
1-[1-(1-oxaspiro[4.4]nonan-2-ylmethyl)pyrrol-3-yl]butan-1-ol
CID 102899559
4-(5,5-dimethyloxolan-2-yl)-N-propylbutan-2-amine
CID 116522567
N-propyl-1-[1-(2-pyrazol-1-ylethyl)pyrrol-3-yl]propan-1-amine
CID 79105358
5-[3-[1-(propylamino)propyl]pyrrol-1-yl]pentanenitrile
CID 79105888
1-[1-(2-imidazol-1-ylethyl)pyrrol-3-yl]-N-propylpropan-1-amine
CID 79104998
1-morpholin-4-yl-2-[3-[1-(propylamino)propyl]pyrrol-1-yl]ethanone
CID 79109647

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(5,5-dimethyloxolan-2-yl)methyl]pyrrol-3-yl]-N-propylpropan-1-amine?
The IUPAC name of 1-[1-[(5,5-dimethyloxolan-2-yl)methyl]pyrrol-3-yl]-N-propylpropan-1-amine (CID 116523001) is 1-[1-[(5,5-dimethyloxolan-2-yl)methyl]pyrrol-3-yl]-N-propylpropan-1-amine.
What is the SMILES notation for 1-[1-[(5,5-dimethyloxolan-2-yl)methyl]pyrrol-3-yl]-N-propylpropan-1-amine?
The canonical SMILES for 1-[1-[(5,5-dimethyloxolan-2-yl)methyl]pyrrol-3-yl]-N-propylpropan-1-amine is CCCNC(CC)c1ccn(CC2CCC(C)(C)O2)c1.
What is the InChIKey of 1-[1-[(5,5-dimethyloxolan-2-yl)methyl]pyrrol-3-yl]-N-propylpropan-1-amine?
The InChIKey is DOZLPHOSJWPLOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O/c1-5-10-18-16(6-2)14-8-11-19(12-14)13-15-7-9-17(3,4)20-15/h8,11-12,15-16,18H,5-7,9-10,13H2,1-4H3.
What are the key properties of 1-[1-[(5,5-dimethyloxolan-2-yl)methyl]pyrrol-3-yl]-N-propylpropan-1-amine?
1-[1-[(5,5-dimethyloxolan-2-yl)methyl]pyrrol-3-yl]-N-propylpropan-1-amine has a molecular weight of 278.44 g/mol, XLogP of 3.90, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(5,5-dimethyloxolan-2-yl)methyl]pyrrol-3-yl]-N-propylpropan-1-amine is sourced from PubChem (CID 116523001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).