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

C11H20N2O — CID 82941247

IUPAC3-propoxy-N-(1H-pyrrol-2-ylmethyl)propan-1-amine
SMILESCCCOCCCNCc1ccc[nH]1
InChIInChI=1S/C11H20N2O/c1-2-8-14-9-4-6-12-10-11-5-3-7-13-11/h3,5,7,12-13H,2,4,6,8-10H2,1H3
InChIKeyJNZATLDSDOPUQY-UHFFFAOYSA-N
MW196.29 g/mol
LogP1.92
Rot. Bonds8

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

3-propoxy-N-(1H-pyrrol-2-ylmethyl)propan-1-amine (PubChem CID 82941247) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is 3-propoxy-N-(1H-pyrrol-2-ylmethyl)propan-1-amine.

Molecular Properties

Compound Name3-propoxy-N-(1H-pyrrol-2-ylmethyl)propan-1-amine
PubChem CID82941247
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC Name3-propoxy-N-(1H-pyrrol-2-ylmethyl)propan-1-amine
SMILESCCCOCCCNCc1ccc[nH]1
InChIInChI=1S/C11H20N2O/c1-2-8-14-9-4-6-12-10-11-5-3-7-13-11/h3,5,7,12-13H,2,4,6,8-10H2,1H3
InChIKeyJNZATLDSDOPUQY-UHFFFAOYSA-N
XLogP1.92
TPSA37.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 51.92
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

N-(1H-pyrrol-2-ylmethyl)butan-1-amine
CID 60662724
4-methyl-N-(1H-pyrrol-2-ylmethyl)pentan-1-amine
CID 62339578
2-but-3-enoxy-N-(1H-pyrrol-2-ylmethyl)ethanamine
CID 103578738
N-[(2,6-dichlorophenyl)methyl]-3-propoxypropan-1-amine
CID 82940867
3-propoxy-N-(thiophen-2-ylmethyl)propan-1-amine
CID 62715454
N-(2,3-dihydro-1H-inden-5-ylmethyl)-3-propoxypropan-1-amine
CID 82943032
N-[(2-chloro-3-fluorophenyl)methyl]-3-propoxypropan-1-amine
CID 112652222
N-[(3,5-dichlorophenyl)methyl]-3-propoxypropan-1-amine
CID 82941583
1-(1H-pyrrol-2-yl)-N-[[2,4,6-trimethyl-3,5-bis[(1H-pyrrol-2-ylmethylamino)methyl]phenyl]methyl]methanamine
CID 72697855
N-[(3-chloro-4-methylphenyl)methyl]-3-propoxypropan-1-amine
CID 106817046
3-butoxy-N-[(2-methyl-1H-imidazol-5-yl)methyl]propan-1-amine
CID 115606779
3-ethoxy-N-(1H-pyrrol-3-ylmethyl)propan-1-amine
CID 66408485

Frequently Asked Questions

What is the IUPAC name of 3-propoxy-N-(1H-pyrrol-2-ylmethyl)propan-1-amine?
The IUPAC name of 3-propoxy-N-(1H-pyrrol-2-ylmethyl)propan-1-amine (CID 82941247) is 3-propoxy-N-(1H-pyrrol-2-ylmethyl)propan-1-amine.
What is the SMILES notation for 3-propoxy-N-(1H-pyrrol-2-ylmethyl)propan-1-amine?
The canonical SMILES for 3-propoxy-N-(1H-pyrrol-2-ylmethyl)propan-1-amine is CCCOCCCNCc1ccc[nH]1.
What is the InChIKey of 3-propoxy-N-(1H-pyrrol-2-ylmethyl)propan-1-amine?
The InChIKey is JNZATLDSDOPUQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O/c1-2-8-14-9-4-6-12-10-11-5-3-7-13-11/h3,5,7,12-13H,2,4,6,8-10H2,1H3.
What are the key properties of 3-propoxy-N-(1H-pyrrol-2-ylmethyl)propan-1-amine?
3-propoxy-N-(1H-pyrrol-2-ylmethyl)propan-1-amine has a molecular weight of 196.29 g/mol, XLogP of 1.92, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propoxy-N-(1H-pyrrol-2-ylmethyl)propan-1-amine is sourced from PubChem (CID 82941247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).