N-[[1-[2-(2-methylpropoxy)ethyl]pyrrol-3-yl]methyl]propan-2-amine

C14H26N2O — CID 106455297

IUPACN-[[1-[2-(2-methylpropoxy)ethyl]pyrrol-3-yl]methyl]propan-2-amine
SMILESCC(C)COCCn1ccc(CNC(C)C)c1
InChIInChI=1S/C14H26N2O/c1-12(2)11-17-8-7-16-6-5-14(10-16)9-15-13(3)4/h5-6,10,12-13,15H,7-9,11H2,1-4H3
InChIKeyFIYIASITVLPZHP-UHFFFAOYSA-N
MW238.37 g/mol
LogP2.66
Rot. Bonds8

About N-[[1-[2-(2-methylpropoxy)ethyl]pyrrol-3-yl]methyl]propan-2-amine

N-[[1-[2-(2-methylpropoxy)ethyl]pyrrol-3-yl]methyl]propan-2-amine (PubChem CID 106455297) has the molecular formula C14H26N2O and a molecular weight of 238.37 g/mol. Its IUPAC name is N-[[1-[2-(2-methylpropoxy)ethyl]pyrrol-3-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[1-[2-(2-methylpropoxy)ethyl]pyrrol-3-yl]methyl]propan-2-amine
PubChem CID106455297
Molecular FormulaC14H26N2O
Molecular Weight238.37 g/mol
Exact Mass238.20
IUPAC NameN-[[1-[2-(2-methylpropoxy)ethyl]pyrrol-3-yl]methyl]propan-2-amine
SMILESCC(C)COCCn1ccc(CNC(C)C)c1
InChIInChI=1S/C14H26N2O/c1-12(2)11-17-8-7-16-6-5-14(10-16)9-15-13(3)4/h5-6,10,12-13,15H,7-9,11H2,1-4H3
InChIKeyFIYIASITVLPZHP-UHFFFAOYSA-N
XLogP2.66
TPSA26.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-propan-2-yl-3-[3-[(propan-2-ylamino)methyl]pyrrol-1-yl]propanamide
CID 66405145
N-[[1-[2-(3-methoxypropoxy)ethyl]pyrrol-3-yl]methyl]-2-methylpropan-1-amine
CID 103181735
N-methyl-1-[1-[2-(2-methylpropoxy)ethyl]pyrrol-3-yl]propan-1-amine
CID 106455332
N-[[1-(2-thiophen-2-ylethyl)pyrrol-3-yl]methyl]propan-2-amine
CID 66405552
N-[[1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]pyrrol-3-yl]methyl]propan-2-amine
CID 66405951
N-[[1-[2-(2-methylpropoxy)ethyl]indol-4-yl]methyl]propan-2-amine
CID 106455248
N-[[3-methyl-1-[2-(2-methylpropoxy)ethyl]pyrazol-4-yl]methyl]propan-2-amine
CID 106458322
N-[[1-[(2,4,6-trimethylphenyl)methyl]pyrrol-3-yl]methyl]propan-2-amine
CID 66405757
1-[1-(2-butoxyethyl)pyrrol-3-yl]-N-methylmethanamine
CID 66406100
N-methyl-1-[1-(3-methylbutyl)pyrrol-3-yl]methanamine
CID 66404275
N-[[1-(thiophen-3-ylmethyl)pyrrol-3-yl]methyl]propan-2-amine
CID 66406782
N-methyl-1-[1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrol-3-yl]methanamine
CID 66405496

Frequently Asked Questions

What is the IUPAC name of N-[[1-[2-(2-methylpropoxy)ethyl]pyrrol-3-yl]methyl]propan-2-amine?
The IUPAC name of N-[[1-[2-(2-methylpropoxy)ethyl]pyrrol-3-yl]methyl]propan-2-amine (CID 106455297) is N-[[1-[2-(2-methylpropoxy)ethyl]pyrrol-3-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[1-[2-(2-methylpropoxy)ethyl]pyrrol-3-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[1-[2-(2-methylpropoxy)ethyl]pyrrol-3-yl]methyl]propan-2-amine is CC(C)COCCn1ccc(CNC(C)C)c1.
What is the InChIKey of N-[[1-[2-(2-methylpropoxy)ethyl]pyrrol-3-yl]methyl]propan-2-amine?
The InChIKey is FIYIASITVLPZHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O/c1-12(2)11-17-8-7-16-6-5-14(10-16)9-15-13(3)4/h5-6,10,12-13,15H,7-9,11H2,1-4H3.
What are the key properties of N-[[1-[2-(2-methylpropoxy)ethyl]pyrrol-3-yl]methyl]propan-2-amine?
N-[[1-[2-(2-methylpropoxy)ethyl]pyrrol-3-yl]methyl]propan-2-amine has a molecular weight of 238.37 g/mol, XLogP of 2.66, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[2-(2-methylpropoxy)ethyl]pyrrol-3-yl]methyl]propan-2-amine is sourced from PubChem (CID 106455297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).