N-(3-ethoxypropyl)-3,4-dihydro-2H-pyrrol-5-amine

C9H18N2O — CID 78909153

IUPACN-(3-ethoxypropyl)-3,4-dihydro-2H-pyrrol-5-amine
SMILESCCOCCCNC1=NCCC1
InChIInChI=1S/C9H18N2O/c1-2-12-8-4-7-11-9-5-3-6-10-9/h2-8H2,1H3,(H,10,11)
InChIKeyHBBACLOJJRJGBA-UHFFFAOYSA-N
MW170.26 g/mol
LogP1.19
Rot. Bonds5

About N-(3-ethoxypropyl)-3,4-dihydro-2H-pyrrol-5-amine

N-(3-ethoxypropyl)-3,4-dihydro-2H-pyrrol-5-amine (PubChem CID 78909153) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is N-(3-ethoxypropyl)-3,4-dihydro-2H-pyrrol-5-amine.

Molecular Properties

Compound NameN-(3-ethoxypropyl)-3,4-dihydro-2H-pyrrol-5-amine
PubChem CID78909153
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC NameN-(3-ethoxypropyl)-3,4-dihydro-2H-pyrrol-5-amine
SMILESCCOCCCNC1=NCCC1
InChIInChI=1S/C9H18N2O/c1-2-12-8-4-7-11-9-5-3-6-10-9/h2-8H2,1H3,(H,10,11)
InChIKeyHBBACLOJJRJGBA-UHFFFAOYSA-N
XLogP1.19
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 51.19
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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Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxypropyl)-3,4-dihydro-2H-pyrrol-5-amine?
The IUPAC name of N-(3-ethoxypropyl)-3,4-dihydro-2H-pyrrol-5-amine (CID 78909153) is N-(3-ethoxypropyl)-3,4-dihydro-2H-pyrrol-5-amine.
What is the SMILES notation for N-(3-ethoxypropyl)-3,4-dihydro-2H-pyrrol-5-amine?
The canonical SMILES for N-(3-ethoxypropyl)-3,4-dihydro-2H-pyrrol-5-amine is CCOCCCNC1=NCCC1.
What is the InChIKey of N-(3-ethoxypropyl)-3,4-dihydro-2H-pyrrol-5-amine?
The InChIKey is HBBACLOJJRJGBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O/c1-2-12-8-4-7-11-9-5-3-6-10-9/h2-8H2,1H3,(H,10,11).
What are the key properties of N-(3-ethoxypropyl)-3,4-dihydro-2H-pyrrol-5-amine?
N-(3-ethoxypropyl)-3,4-dihydro-2H-pyrrol-5-amine has a molecular weight of 170.26 g/mol, XLogP of 1.19, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxypropyl)-3,4-dihydro-2H-pyrrol-5-amine is sourced from PubChem (CID 78909153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).