3-(aziridin-1-yl)-N-(2-piperazin-1-ylethyl)propan-1-amine

C11H24N4 — CID 544912

IUPAC3-(aziridin-1-yl)-N-(2-piperazin-1-ylethyl)propan-1-amine
SMILESC(CNCCN1CCNCC1)CN1CC1
InChIInChI=1S/C11H24N4/c1(6-14-10-11-14)2-12-3-7-15-8-4-13-5-9-15/h12-13H,1-11H2
InChIKeyKTHMKEQPDPDVRN-UHFFFAOYSA-N
MW212.34 g/mol
LogP-0.81
Rot. Bonds7

About 3-(aziridin-1-yl)-N-(2-piperazin-1-ylethyl)propan-1-amine

3-(aziridin-1-yl)-N-(2-piperazin-1-ylethyl)propan-1-amine (PubChem CID 544912) has the molecular formula C11H24N4 and a molecular weight of 212.34 g/mol. Its IUPAC name is 3-(aziridin-1-yl)-N-(2-piperazin-1-ylethyl)propan-1-amine.

Molecular Properties

Compound Name3-(aziridin-1-yl)-N-(2-piperazin-1-ylethyl)propan-1-amine
PubChem CID544912
Molecular FormulaC11H24N4
Molecular Weight212.34 g/mol
Exact Mass212.20
IUPAC Name3-(aziridin-1-yl)-N-(2-piperazin-1-ylethyl)propan-1-amine
SMILESC(CNCCN1CCNCC1)CN1CC1
InChIInChI=1S/C11H24N4/c1(6-14-10-11-14)2-12-3-7-15-8-4-13-5-9-15/h12-13H,1-11H2
InChIKeyKTHMKEQPDPDVRN-UHFFFAOYSA-N
XLogP-0.81
TPSA30.31 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 5-0.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-piperazin-1-ylpropyl)pentan-1-amine
CID 67333838
N-ethyl-3-piperazin-1-ylpropan-1-amine
CID 89107698
N-(3-piperazin-1-ylpropyl)hexan-1-amine
CID 135182222
N-(2-piperazin-1-ylethyl)octan-1-amine
CID 115568684
N-(2-piperazin-1-ylethyl)tetradecan-1-amine
CID 22706682
N'-(3-aminopropyl)propane-1,3-diamine;3-piperazin-1-ylpropan-1-amine
CID 175297988
N-pentyl-6-piperazin-1-ylhexan-1-amine
CID 54403619
3-ethoxy-N-(2-piperazin-1-ylethyl)propan-1-amine
CID 139481440
N-(2-cyclohexylethyl)-3-piperazin-1-ylpropan-1-amine
CID 115230614
N'-[2-[bis(2-aminoethyl)amino]ethyl]ethane-1,2-diamine;N'-(2-piperazin-1-ylethyl)ethane-1,2-diamine
CID 67423531
N-(2-aminoethyl)-N'-[2-[3-(1,4,8,11-tetrazacyclotetradec-1-yl)propylamino]ethyl]propane-1,3-diamine
CID 24905558
2-[3-(2-piperazin-1-ylethylamino)propoxy]ethanol
CID 57147651

Frequently Asked Questions

What is the IUPAC name of 3-(aziridin-1-yl)-N-(2-piperazin-1-ylethyl)propan-1-amine?
The IUPAC name of 3-(aziridin-1-yl)-N-(2-piperazin-1-ylethyl)propan-1-amine (CID 544912) is 3-(aziridin-1-yl)-N-(2-piperazin-1-ylethyl)propan-1-amine.
What is the SMILES notation for 3-(aziridin-1-yl)-N-(2-piperazin-1-ylethyl)propan-1-amine?
The canonical SMILES for 3-(aziridin-1-yl)-N-(2-piperazin-1-ylethyl)propan-1-amine is C(CNCCN1CCNCC1)CN1CC1.
What is the InChIKey of 3-(aziridin-1-yl)-N-(2-piperazin-1-ylethyl)propan-1-amine?
The InChIKey is KTHMKEQPDPDVRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N4/c1(6-14-10-11-14)2-12-3-7-15-8-4-13-5-9-15/h12-13H,1-11H2.
What are the key properties of 3-(aziridin-1-yl)-N-(2-piperazin-1-ylethyl)propan-1-amine?
3-(aziridin-1-yl)-N-(2-piperazin-1-ylethyl)propan-1-amine has a molecular weight of 212.34 g/mol, XLogP of -0.81, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aziridin-1-yl)-N-(2-piperazin-1-ylethyl)propan-1-amine is sourced from PubChem (CID 544912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).