N-[[1-(3-methoxypropyl)pyrrol-3-yl]methyl]propan-1-amine

C12H22N2O — CID 66404929

IUPACN-[[1-(3-methoxypropyl)pyrrol-3-yl]methyl]propan-1-amine
SMILESCCCNCc1ccn(CCCOC)c1
InChIInChI=1S/C12H22N2O/c1-3-6-13-10-12-5-8-14(11-12)7-4-9-15-2/h5,8,11,13H,3-4,6-7,9-10H2,1-2H3
InChIKeyFQVNNAMEWNPNSL-UHFFFAOYSA-N
MW210.32 g/mol
LogP2.02
Rot. Bonds8

About N-[[1-(3-methoxypropyl)pyrrol-3-yl]methyl]propan-1-amine

N-[[1-(3-methoxypropyl)pyrrol-3-yl]methyl]propan-1-amine (PubChem CID 66404929) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is N-[[1-(3-methoxypropyl)pyrrol-3-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[1-(3-methoxypropyl)pyrrol-3-yl]methyl]propan-1-amine
PubChem CID66404929
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC NameN-[[1-(3-methoxypropyl)pyrrol-3-yl]methyl]propan-1-amine
SMILESCCCNCc1ccn(CCCOC)c1
InChIInChI=1S/C12H22N2O/c1-3-6-13-10-12-5-8-14(11-12)7-4-9-15-2/h5,8,11,13H,3-4,6-7,9-10H2,1-2H3
InChIKeyFQVNNAMEWNPNSL-UHFFFAOYSA-N
XLogP2.02
TPSA26.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 52.02
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

2-methoxy-N-[[1-(3-methoxypropyl)pyrrol-3-yl]methyl]ethanamine
CID 66404198
N-[(1-butylpyrrol-3-yl)methyl]-2-methoxyethanamine
CID 66406021
N-[[1-(3-ethylsulfonylpropyl)pyrrol-3-yl]methyl]propan-1-amine
CID 66406766
2-ethoxy-N-[(1-propylpyrrol-3-yl)methyl]ethanamine
CID 66399050
N-[(1-ethylpyrrol-3-yl)methyl]-2-(2-methoxyethoxy)ethanamine
CID 66415380
2-methoxy-N-[[1-[2-(2-methylpyrazol-3-yl)ethyl]pyrrol-3-yl]methyl]ethanamine
CID 103005563
N-[(1-dodecylpyrrol-3-yl)methyl]ethanamine
CID 66404098
N-[[1-[3-(2-methoxyethoxy)propyl]pyrrol-3-yl]methyl]-2-methylpropan-2-amine
CID 103411288
N-[[1-[2-(3-methoxypropoxy)ethyl]pyrrol-3-yl]methyl]-2-methylpropan-1-amine
CID 103181735
N-[[1-(2,2,2-trifluoroethyl)pyrrol-3-yl]methyl]propan-1-amine
CID 66404940
N-[[1-(2-butoxyethyl)pyrrol-3-yl]methyl]ethanamine
CID 66405314
3-[(1-propylpyrrol-3-yl)methylamino]propanenitrile
CID 66399043

Frequently Asked Questions

What is the IUPAC name of N-[[1-(3-methoxypropyl)pyrrol-3-yl]methyl]propan-1-amine?
The IUPAC name of N-[[1-(3-methoxypropyl)pyrrol-3-yl]methyl]propan-1-amine (CID 66404929) is N-[[1-(3-methoxypropyl)pyrrol-3-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[1-(3-methoxypropyl)pyrrol-3-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[1-(3-methoxypropyl)pyrrol-3-yl]methyl]propan-1-amine is CCCNCc1ccn(CCCOC)c1.
What is the InChIKey of N-[[1-(3-methoxypropyl)pyrrol-3-yl]methyl]propan-1-amine?
The InChIKey is FQVNNAMEWNPNSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c1-3-6-13-10-12-5-8-14(11-12)7-4-9-15-2/h5,8,11,13H,3-4,6-7,9-10H2,1-2H3.
What are the key properties of N-[[1-(3-methoxypropyl)pyrrol-3-yl]methyl]propan-1-amine?
N-[[1-(3-methoxypropyl)pyrrol-3-yl]methyl]propan-1-amine has a molecular weight of 210.32 g/mol, XLogP of 2.02, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(3-methoxypropyl)pyrrol-3-yl]methyl]propan-1-amine is sourced from PubChem (CID 66404929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).