N-ethyl-3-piperazin-1-ylpropan-1-amine

C9H21N3 — CID 89107698

IUPACN-ethyl-3-piperazin-1-ylpropan-1-amine
SMILESCCNCCCN1CCNCC1
InChIInChI=1S/C9H21N3/c1-2-10-4-3-7-12-8-5-11-6-9-12/h10-11H,2-9H2,1H3
InChIKeyWXMOLJGYPJIGRQ-UHFFFAOYSA-N
MW171.29 g/mol
LogP-0.11
Rot. Bonds5

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

N-ethyl-3-piperazin-1-ylpropan-1-amine (PubChem CID 89107698) has the molecular formula C9H21N3 and a molecular weight of 171.29 g/mol. Its IUPAC name is N-ethyl-3-piperazin-1-ylpropan-1-amine.

Molecular Properties

Compound NameN-ethyl-3-piperazin-1-ylpropan-1-amine
PubChem CID89107698
Molecular FormulaC9H21N3
Molecular Weight171.29 g/mol
Exact Mass171.17
IUPAC NameN-ethyl-3-piperazin-1-ylpropan-1-amine
SMILESCCNCCCN1CCNCC1
InChIInChI=1S/C9H21N3/c1-2-10-4-3-7-12-8-5-11-6-9-12/h10-11H,2-9H2,1H3
InChIKeyWXMOLJGYPJIGRQ-UHFFFAOYSA-N
XLogP-0.11
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.29
LogP ≤ 5-0.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-piperazin-1-ylpropyl)pentan-1-amine
CID 67333838
N-(3-piperazin-1-ylpropyl)hexan-1-amine
CID 135182222
N-ethyl-3-(4-ethyl-1,4,8-triazacycloundec-1-yl)propan-1-amine
CID 59108273
3-(aziridin-1-yl)-N-(2-piperazin-1-ylethyl)propan-1-amine
CID 544912
N-ethyl-3-pyrrolidin-1-ylpropan-1-amine
CID 23440046
N-pentyl-6-piperazin-1-ylhexan-1-amine
CID 54403619
N-(2-piperazin-1-ylethyl)tetradecan-1-amine
CID 22706682
N-(2-piperazin-1-ylethyl)octan-1-amine
CID 115568684
N'-(3-aminopropyl)propane-1,3-diamine;3-piperazin-1-ylpropan-1-amine
CID 175297988
ethane;N-ethyl-3-morpholin-4-ylpropan-1-amine
CID 170595450
N-[(1-methylpiperidin-4-yl)methyl]-3-piperazin-1-ylpropan-1-amine
CID 115230561
N-(2-aminoethyl)-N'-[2-[3-(1,4,8,11-tetrazacyclotetradec-1-yl)propylamino]ethyl]propane-1,3-diamine
CID 24905558

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-piperazin-1-ylpropan-1-amine?
The IUPAC name of N-ethyl-3-piperazin-1-ylpropan-1-amine (CID 89107698) is N-ethyl-3-piperazin-1-ylpropan-1-amine.
What is the SMILES notation for N-ethyl-3-piperazin-1-ylpropan-1-amine?
The canonical SMILES for N-ethyl-3-piperazin-1-ylpropan-1-amine is CCNCCCN1CCNCC1.
What is the InChIKey of N-ethyl-3-piperazin-1-ylpropan-1-amine?
The InChIKey is WXMOLJGYPJIGRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N3/c1-2-10-4-3-7-12-8-5-11-6-9-12/h10-11H,2-9H2,1H3.
What are the key properties of N-ethyl-3-piperazin-1-ylpropan-1-amine?
N-ethyl-3-piperazin-1-ylpropan-1-amine has a molecular weight of 171.29 g/mol, XLogP of -0.11, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-piperazin-1-ylpropan-1-amine is sourced from PubChem (CID 89107698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).