1-[1-[(5,5-dimethyloxolan-2-yl)methyl]pyrrol-2-yl]butan-2-amine

C15H26N2O — CID 116523943

IUPAC1-[1-[(5,5-dimethyloxolan-2-yl)methyl]pyrrol-2-yl]butan-2-amine
SMILESCCC(N)Cc1cccn1CC1CCC(C)(C)O1
InChIInChI=1S/C15H26N2O/c1-4-12(16)10-13-6-5-9-17(13)11-14-7-8-15(2,3)18-14/h5-6,9,12,14H,4,7-8,10-11,16H2,1-3H3
InChIKeyDJSLLTLVFZRPRB-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.73
Rot. Bonds5

About 1-[1-[(5,5-dimethyloxolan-2-yl)methyl]pyrrol-2-yl]butan-2-amine

1-[1-[(5,5-dimethyloxolan-2-yl)methyl]pyrrol-2-yl]butan-2-amine (PubChem CID 116523943) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is 1-[1-[(5,5-dimethyloxolan-2-yl)methyl]pyrrol-2-yl]butan-2-amine.

Molecular Properties

Compound Name1-[1-[(5,5-dimethyloxolan-2-yl)methyl]pyrrol-2-yl]butan-2-amine
PubChem CID116523943
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC Name1-[1-[(5,5-dimethyloxolan-2-yl)methyl]pyrrol-2-yl]butan-2-amine
SMILESCCC(N)Cc1cccn1CC1CCC(C)(C)O1
InChIInChI=1S/C15H26N2O/c1-4-12(16)10-13-6-5-9-17(13)11-14-7-8-15(2,3)18-14/h5-6,9,12,14H,4,7-8,10-11,16H2,1-3H3
InChIKeyDJSLLTLVFZRPRB-UHFFFAOYSA-N
XLogP2.73
TPSA40.18 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[1-[(5,5-dimethyloxolan-2-yl)methyl]pyrrol-2-yl]butan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-amino-1-[(5,5-dimethyloxolan-2-yl)methyl]pyridin-2-one
CID 116521766
1-[1-(2-bicyclo[2.2.1]heptanylmethyl)pyrrol-2-yl]butan-2-amine
CID 79549886
1-(5,5-dimethyloxolan-2-yl)butan-2-amine
CID 116524943
1-[(5,5-dimethyloxolan-2-yl)methyl]indole
CID 116524108
1-[1-(1-oxaspiro[4.5]decan-2-ylmethyl)pyrrol-3-yl]butan-2-amine
CID 102900728
N-[[1-(1-oxaspiro[4.5]decan-2-ylmethyl)pyrrol-2-yl]methyl]ethanamine
CID 102899594
N-methyl-1-[1-(1-oxaspiro[4.4]nonan-2-ylmethyl)pyrrol-2-yl]methanamine
CID 102899593
1-[1-[(1-cyclopentylpyrazol-3-yl)methyl]pyrrol-2-yl]butan-2-amine
CID 66406289
1-[1-(pyridin-4-ylmethyl)pyrrol-2-yl]butan-2-amine
CID 66406093
1-[1-(2-propoxyethyl)pyrrol-2-yl]butan-2-amine
CID 106457551
1-[1-[(3-methyl-2-pyridinyl)methyl]pyrrol-2-yl]butan-2-amine
CID 112651314
5-bromo-1-[(5,5-dimethyloxolan-2-yl)methyl]indole
CID 116619600

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(5,5-dimethyloxolan-2-yl)methyl]pyrrol-2-yl]butan-2-amine?
The IUPAC name of 1-[1-[(5,5-dimethyloxolan-2-yl)methyl]pyrrol-2-yl]butan-2-amine (CID 116523943) is 1-[1-[(5,5-dimethyloxolan-2-yl)methyl]pyrrol-2-yl]butan-2-amine.
What is the SMILES notation for 1-[1-[(5,5-dimethyloxolan-2-yl)methyl]pyrrol-2-yl]butan-2-amine?
The canonical SMILES for 1-[1-[(5,5-dimethyloxolan-2-yl)methyl]pyrrol-2-yl]butan-2-amine is CCC(N)Cc1cccn1CC1CCC(C)(C)O1.
What is the InChIKey of 1-[1-[(5,5-dimethyloxolan-2-yl)methyl]pyrrol-2-yl]butan-2-amine?
The InChIKey is DJSLLTLVFZRPRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-4-12(16)10-13-6-5-9-17(13)11-14-7-8-15(2,3)18-14/h5-6,9,12,14H,4,7-8,10-11,16H2,1-3H3.
What are the key properties of 1-[1-[(5,5-dimethyloxolan-2-yl)methyl]pyrrol-2-yl]butan-2-amine?
1-[1-[(5,5-dimethyloxolan-2-yl)methyl]pyrrol-2-yl]butan-2-amine has a molecular weight of 250.39 g/mol, XLogP of 2.73, 5 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-2-yl]butan-2-amine is sourced from PubChem (CID 116523943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).