3-[4-[3-(methylamino)propyl]piperazin-1-yl]propan-1-amine

C11H26N4 — CID 20647742

IUPAC3-[4-[3-(methylamino)propyl]piperazin-1-yl]propan-1-amine
SMILESCNCCCN1CCN(CCCN)CC1
InChIInChI=1S/C11H26N4/c1-13-5-3-7-15-10-8-14(9-11-15)6-2-4-12/h13H,2-12H2,1H3
InChIKeyXKKVGSCCZUXGMT-UHFFFAOYSA-N
MW214.36 g/mol
LogP-0.44
Rot. Bonds7

About 3-[4-[3-(methylamino)propyl]piperazin-1-yl]propan-1-amine

3-[4-[3-(methylamino)propyl]piperazin-1-yl]propan-1-amine (PubChem CID 20647742) has the molecular formula C11H26N4 and a molecular weight of 214.36 g/mol. Its IUPAC name is 3-[4-[3-(methylamino)propyl]piperazin-1-yl]propan-1-amine.

Molecular Properties

Compound Name3-[4-[3-(methylamino)propyl]piperazin-1-yl]propan-1-amine
PubChem CID20647742
Molecular FormulaC11H26N4
Molecular Weight214.36 g/mol
Exact Mass214.22
IUPAC Name3-[4-[3-(methylamino)propyl]piperazin-1-yl]propan-1-amine
SMILESCNCCCN1CCN(CCCN)CC1
InChIInChI=1S/C11H26N4/c1-13-5-3-7-15-10-8-14(9-11-15)6-2-4-12/h13H,2-12H2,1H3
InChIKeyXKKVGSCCZUXGMT-UHFFFAOYSA-N
XLogP-0.44
TPSA44.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.36
LogP ≤ 5-0.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethane;methane;3-[4-[3-(methylamino)propyl]piperazin-1-yl]propan-1-amine
CID 165403738
ethane;N-methyl-3-(4-methylpiperazin-1-yl)propan-1-amine
CID 143417391
N-methyl-3-(4-propylpiperazin-1-yl)propan-1-amine
CID 59478173
3-[4-(3-aminopropyl)piperazin-1-yl]propan-1-amine;hydrochloride
CID 54610574
N-methyl-3-pyrrolidin-1-ylpropan-1-amine;molecular hydrogen
CID 143591105
3-(4-tert-butylpiperazin-1-yl)-N-methylpropan-1-amine
CID 61430977
N-methyl-3-[4-(2-methylpropyl)piperazin-1-yl]propan-1-amine
CID 62775254
3-(4-butylpiperazin-1-yl)propan-1-amine
CID 15485218
ethane;N-methyl-5-(4-methylpiperazin-1-yl)pentan-1-amine
CID 165116575
4-(azocan-1-yl)-N-methylbutan-1-amine
CID 60841178
ethane;3-piperidin-1-ylpropan-1-amine
CID 142260047
N-methyl-N'-[[4-[3-(methylamino)propyl]piperazin-1-yl]iodanuidylmethyl]ethane-1,2-diamine
CID 163824055

Frequently Asked Questions

What is the IUPAC name of 3-[4-[3-(methylamino)propyl]piperazin-1-yl]propan-1-amine?
The IUPAC name of 3-[4-[3-(methylamino)propyl]piperazin-1-yl]propan-1-amine (CID 20647742) is 3-[4-[3-(methylamino)propyl]piperazin-1-yl]propan-1-amine.
What is the SMILES notation for 3-[4-[3-(methylamino)propyl]piperazin-1-yl]propan-1-amine?
The canonical SMILES for 3-[4-[3-(methylamino)propyl]piperazin-1-yl]propan-1-amine is CNCCCN1CCN(CCCN)CC1.
What is the InChIKey of 3-[4-[3-(methylamino)propyl]piperazin-1-yl]propan-1-amine?
The InChIKey is XKKVGSCCZUXGMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26N4/c1-13-5-3-7-15-10-8-14(9-11-15)6-2-4-12/h13H,2-12H2,1H3.
What are the key properties of 3-[4-[3-(methylamino)propyl]piperazin-1-yl]propan-1-amine?
3-[4-[3-(methylamino)propyl]piperazin-1-yl]propan-1-amine has a molecular weight of 214.36 g/mol, XLogP of -0.44, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[3-(methylamino)propyl]piperazin-1-yl]propan-1-amine is sourced from PubChem (CID 20647742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).