1-[1-(oxan-4-ylmethyl)pyrrol-3-yl]-N-propylbutan-1-amine

C17H30N2O — CID 79108633

IUPAC1-[1-(oxan-4-ylmethyl)pyrrol-3-yl]-N-propylbutan-1-amine
SMILESCCCNC(CCC)c1ccn(CC2CCOCC2)c1
InChIInChI=1S/C17H30N2O/c1-3-5-17(18-9-4-2)16-6-10-19(14-16)13-15-7-11-20-12-8-15/h6,10,14-15,17-18H,3-5,7-9,11-13H2,1-2H3
InChIKeyABDGVSZGGJEJJZ-UHFFFAOYSA-N
MW278.44 g/mol
LogP3.76
Rot. Bonds8

About 1-[1-(oxan-4-ylmethyl)pyrrol-3-yl]-N-propylbutan-1-amine

1-[1-(oxan-4-ylmethyl)pyrrol-3-yl]-N-propylbutan-1-amine (PubChem CID 79108633) has the molecular formula C17H30N2O and a molecular weight of 278.44 g/mol. Its IUPAC name is 1-[1-(oxan-4-ylmethyl)pyrrol-3-yl]-N-propylbutan-1-amine.

Molecular Properties

Compound Name1-[1-(oxan-4-ylmethyl)pyrrol-3-yl]-N-propylbutan-1-amine
PubChem CID79108633
Molecular FormulaC17H30N2O
Molecular Weight278.44 g/mol
Exact Mass278.24
IUPAC Name1-[1-(oxan-4-ylmethyl)pyrrol-3-yl]-N-propylbutan-1-amine
SMILESCCCNC(CCC)c1ccn(CC2CCOCC2)c1
InChIInChI=1S/C17H30N2O/c1-3-5-17(18-9-4-2)16-6-10-19(14-16)13-15-7-11-20-12-8-15/h6,10,14-15,17-18H,3-5,7-9,11-13H2,1-2H3
InChIKeyABDGVSZGGJEJJZ-UHFFFAOYSA-N
XLogP3.76
TPSA26.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[1-(oxan-4-ylmethyl)pyrrol-3-yl]-N-propylbutan-1-amine with MolForge

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Related Compounds

1-[1-(2-bicyclo[2.2.1]heptanylmethyl)pyrrol-3-yl]-N-propylbutan-1-amine
CID 79561240
1-[1-(2-methoxyethyl)pyrrol-3-yl]-N-propylbutan-1-amine
CID 79109745
N-propyl-1-[1-(2-propylsulfonylethyl)pyrrol-3-yl]butan-1-amine
CID 106717780
N-ethyl-1-[1-(2-morpholin-4-ylethyl)pyrrol-3-yl]butan-1-amine
CID 79109421
1-[1-[(5,5-dimethyloxolan-2-yl)methyl]pyrrol-3-yl]-N-propylpropan-1-amine
CID 116523001
1-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrol-3-yl]-N-propylbutan-1-amine
CID 79109130
N-propyl-1-[1-(pyridin-4-ylmethyl)pyrrol-3-yl]butan-1-amine
CID 79108315
N-propyl-1-[1-[2-(trifluoromethoxy)ethyl]pyrrol-3-yl]butan-1-amine
CID 79108808
1-[1-(oxan-4-ylmethyl)pyrrol-3-yl]butan-1-one
CID 79109205
2-[3-[1-(methylamino)butyl]pyrrol-1-yl]-N-(oxan-4-yl)acetamide
CID 79108233
1-[1-[(2-bromophenyl)methyl]pyrrol-3-yl]-N-propylbutan-1-amine
CID 79108247
1-[1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrol-3-yl]-N-propylbutan-1-amine
CID 79107982

Frequently Asked Questions

What is the IUPAC name of 1-[1-(oxan-4-ylmethyl)pyrrol-3-yl]-N-propylbutan-1-amine?
The IUPAC name of 1-[1-(oxan-4-ylmethyl)pyrrol-3-yl]-N-propylbutan-1-amine (CID 79108633) is 1-[1-(oxan-4-ylmethyl)pyrrol-3-yl]-N-propylbutan-1-amine.
What is the SMILES notation for 1-[1-(oxan-4-ylmethyl)pyrrol-3-yl]-N-propylbutan-1-amine?
The canonical SMILES for 1-[1-(oxan-4-ylmethyl)pyrrol-3-yl]-N-propylbutan-1-amine is CCCNC(CCC)c1ccn(CC2CCOCC2)c1.
What is the InChIKey of 1-[1-(oxan-4-ylmethyl)pyrrol-3-yl]-N-propylbutan-1-amine?
The InChIKey is ABDGVSZGGJEJJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O/c1-3-5-17(18-9-4-2)16-6-10-19(14-16)13-15-7-11-20-12-8-15/h6,10,14-15,17-18H,3-5,7-9,11-13H2,1-2H3.
What are the key properties of 1-[1-(oxan-4-ylmethyl)pyrrol-3-yl]-N-propylbutan-1-amine?
1-[1-(oxan-4-ylmethyl)pyrrol-3-yl]-N-propylbutan-1-amine has a molecular weight of 278.44 g/mol, XLogP of 3.76, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(oxan-4-ylmethyl)pyrrol-3-yl]-N-propylbutan-1-amine is sourced from PubChem (CID 79108633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).