3-(2-methylpropoxy)-N-(1H-pyrrol-3-ylmethyl)propan-1-amine

C12H22N2O — CID 66409145

IUPAC3-(2-methylpropoxy)-N-(1H-pyrrol-3-ylmethyl)propan-1-amine
SMILESCC(C)COCCCNCc1cc[nH]c1
InChIInChI=1S/C12H22N2O/c1-11(2)10-15-7-3-5-13-8-12-4-6-14-9-12/h4,6,9,11,13-14H,3,5,7-8,10H2,1-2H3
InChIKeyILYVHTHVCBJTNM-UHFFFAOYSA-N
MW210.32 g/mol
LogP2.17
Rot. Bonds8

About 3-(2-methylpropoxy)-N-(1H-pyrrol-3-ylmethyl)propan-1-amine

3-(2-methylpropoxy)-N-(1H-pyrrol-3-ylmethyl)propan-1-amine (PubChem CID 66409145) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is 3-(2-methylpropoxy)-N-(1H-pyrrol-3-ylmethyl)propan-1-amine.

Molecular Properties

Compound Name3-(2-methylpropoxy)-N-(1H-pyrrol-3-ylmethyl)propan-1-amine
PubChem CID66409145
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Name3-(2-methylpropoxy)-N-(1H-pyrrol-3-ylmethyl)propan-1-amine
SMILESCC(C)COCCCNCc1cc[nH]c1
InChIInChI=1S/C12H22N2O/c1-11(2)10-15-7-3-5-13-8-12-4-6-14-9-12/h4,6,9,11,13-14H,3,5,7-8,10H2,1-2H3
InChIKeyILYVHTHVCBJTNM-UHFFFAOYSA-N
XLogP2.17
TPSA37.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-ethoxy-N-(1H-pyrrol-3-ylmethyl)propan-1-amine
CID 66408485
N-[[3-(difluoromethyl)phenyl]methyl]-3-(2-methylpropoxy)propan-1-amine
CID 115526053
N-[(4-methoxy-3-methylphenyl)methyl]-3-(2-methylpropoxy)propan-1-amine
CID 43233324
N-[(3-bromo-4-fluorophenyl)methyl]-3-(2-methylpropoxy)propan-1-amine
CID 28681813
N-(1H-indol-3-ylmethyl)-3-(2-methylpropoxy)propan-1-amine
CID 55021174
5-(1H-pyrrol-3-ylmethylamino)pentan-1-ol
CID 107302884
N-[(2-fluorophenyl)methyl]-3-(2-methylpropoxy)propan-1-amine
CID 28681841
N-propan-2-yloxy-1-(1H-pyrrol-3-yl)methanamine
CID 131223122
N-[3-(1H-pyrrol-3-ylmethylamino)propyl]methanesulfonamide
CID 115686088
2-(1H-pyrrol-3-ylmethylamino)ethanethiol
CID 115223957
3-(2-methylpropoxy)-N-[(1-phenylpyrazol-4-yl)methyl]propan-1-amine
CID 28681591
N-[(4-bromophenyl)methyl]-2-(2-methylpropoxy)ethanamine
CID 115584556

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylpropoxy)-N-(1H-pyrrol-3-ylmethyl)propan-1-amine?
The IUPAC name of 3-(2-methylpropoxy)-N-(1H-pyrrol-3-ylmethyl)propan-1-amine (CID 66409145) is 3-(2-methylpropoxy)-N-(1H-pyrrol-3-ylmethyl)propan-1-amine.
What is the SMILES notation for 3-(2-methylpropoxy)-N-(1H-pyrrol-3-ylmethyl)propan-1-amine?
The canonical SMILES for 3-(2-methylpropoxy)-N-(1H-pyrrol-3-ylmethyl)propan-1-amine is CC(C)COCCCNCc1cc[nH]c1.
What is the InChIKey of 3-(2-methylpropoxy)-N-(1H-pyrrol-3-ylmethyl)propan-1-amine?
The InChIKey is ILYVHTHVCBJTNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c1-11(2)10-15-7-3-5-13-8-12-4-6-14-9-12/h4,6,9,11,13-14H,3,5,7-8,10H2,1-2H3.
What are the key properties of 3-(2-methylpropoxy)-N-(1H-pyrrol-3-ylmethyl)propan-1-amine?
3-(2-methylpropoxy)-N-(1H-pyrrol-3-ylmethyl)propan-1-amine has a molecular weight of 210.32 g/mol, XLogP of 2.17, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpropoxy)-N-(1H-pyrrol-3-ylmethyl)propan-1-amine is sourced from PubChem (CID 66409145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).