N-ethyl-3-pyrrolidin-1-ylpropan-1-amine

C9H20N2 — CID 23440046

IUPACN-ethyl-3-pyrrolidin-1-ylpropan-1-amine
SMILESCCNCCCN1CCCC1
InChIInChI=1S/C9H20N2/c1-2-10-6-5-9-11-7-3-4-8-11/h10H,2-9H2,1H3
InChIKeyQBXOEDRXHFFODI-UHFFFAOYSA-N
MW156.27 g/mol
LogP1.08
Rot. Bonds5

About N-ethyl-3-pyrrolidin-1-ylpropan-1-amine

N-ethyl-3-pyrrolidin-1-ylpropan-1-amine (PubChem CID 23440046) has the molecular formula C9H20N2 and a molecular weight of 156.27 g/mol. Its IUPAC name is N-ethyl-3-pyrrolidin-1-ylpropan-1-amine.

Molecular Properties

Compound NameN-ethyl-3-pyrrolidin-1-ylpropan-1-amine
PubChem CID23440046
Molecular FormulaC9H20N2
Molecular Weight156.27 g/mol
Exact Mass156.16
IUPAC NameN-ethyl-3-pyrrolidin-1-ylpropan-1-amine
SMILESCCNCCCN1CCCC1
InChIInChI=1S/C9H20N2/c1-2-10-6-5-9-11-7-3-4-8-11/h10H,2-9H2,1H3
InChIKeyQBXOEDRXHFFODI-UHFFFAOYSA-N
XLogP1.08
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.27
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-3-piperazin-1-ylpropan-1-amine
CID 89107698
N-(3-pyrrolidin-1-ylpropyl)heptan-1-amine
CID 43130243
N-ethyl-3-(4-ethyl-1,4,8-triazacycloundec-1-yl)propan-1-amine
CID 59108273
ethane;N-ethyl-3-morpholin-4-ylpropan-1-amine
CID 170595450
4-piperidin-1-yl-N-(3-piperidin-1-ylpropyl)butan-1-amine
CID 142273923
N-ethyl-4-(4-propylpiperazin-1-yl)butan-1-amine
CID 62424325
4-piperidin-1-yl-N-propylbutan-1-amine
CID 62425057
3-[4-(cyclopropylmethyl)piperazin-1-yl]-N-ethylpropan-1-amine
CID 61445469
N'-ethyl-N'-methyl-N-(3-pyrrolidin-1-ylpropyl)ethane-1,2-diamine
CID 62636776
3-(4-butylpiperazin-1-yl)-N-[3-(4-butylpiperazin-1-yl)propyl]propan-1-amine
CID 69028178
2-[3-(azepan-1-yl)propylamino]ethanol
CID 53216056
N-(2-pyrrolidin-1-ylethyl)pentan-1-amine
CID 28654194

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-pyrrolidin-1-ylpropan-1-amine?
The IUPAC name of N-ethyl-3-pyrrolidin-1-ylpropan-1-amine (CID 23440046) is N-ethyl-3-pyrrolidin-1-ylpropan-1-amine.
What is the SMILES notation for N-ethyl-3-pyrrolidin-1-ylpropan-1-amine?
The canonical SMILES for N-ethyl-3-pyrrolidin-1-ylpropan-1-amine is CCNCCCN1CCCC1.
What is the InChIKey of N-ethyl-3-pyrrolidin-1-ylpropan-1-amine?
The InChIKey is QBXOEDRXHFFODI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2/c1-2-10-6-5-9-11-7-3-4-8-11/h10H,2-9H2,1H3.
What are the key properties of N-ethyl-3-pyrrolidin-1-ylpropan-1-amine?
N-ethyl-3-pyrrolidin-1-ylpropan-1-amine has a molecular weight of 156.27 g/mol, XLogP of 1.08, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-pyrrolidin-1-ylpropan-1-amine is sourced from PubChem (CID 23440046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).