N-methyl-3-(4-propylpiperazin-1-yl)propan-1-amine

C11H25N3 — CID 59478173

IUPACN-methyl-3-(4-propylpiperazin-1-yl)propan-1-amine
SMILESCCCN1CCN(CCCNC)CC1
InChIInChI=1S/C11H25N3/c1-3-6-13-8-10-14(11-9-13)7-4-5-12-2/h12H,3-11H2,1-2H3
InChIKeyHGWAXXOJWKKCLA-UHFFFAOYSA-N
MW199.34 g/mol
LogP0.62
Rot. Bonds6

About N-methyl-3-(4-propylpiperazin-1-yl)propan-1-amine

N-methyl-3-(4-propylpiperazin-1-yl)propan-1-amine (PubChem CID 59478173) has the molecular formula C11H25N3 and a molecular weight of 199.34 g/mol. Its IUPAC name is N-methyl-3-(4-propylpiperazin-1-yl)propan-1-amine.

Molecular Properties

Compound NameN-methyl-3-(4-propylpiperazin-1-yl)propan-1-amine
PubChem CID59478173
Molecular FormulaC11H25N3
Molecular Weight199.34 g/mol
Exact Mass199.20
IUPAC NameN-methyl-3-(4-propylpiperazin-1-yl)propan-1-amine
SMILESCCCN1CCN(CCCNC)CC1
InChIInChI=1S/C11H25N3/c1-3-6-13-8-10-14(11-9-13)7-4-5-12-2/h12H,3-11H2,1-2H3
InChIKeyHGWAXXOJWKKCLA-UHFFFAOYSA-N
XLogP0.62
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 50.62
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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Related Compounds

ethane;N-methyl-3-(4-methylpiperazin-1-yl)propan-1-amine
CID 143417391
3-[4-[3-(methylamino)propyl]piperazin-1-yl]propan-1-amine
CID 20647742
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
ethane;methane;3-[4-[3-(methylamino)propyl]piperazin-1-yl]propan-1-amine
CID 165403738
3-(4-butylpiperazin-1-yl)-N-[3-(4-butylpiperazin-1-yl)propyl]propan-1-amine
CID 69028178
ethane;N-methyl-5-(4-methylpiperazin-1-yl)pentan-1-amine
CID 165116575
N-ethyl-4-(4-propylpiperazin-1-yl)butan-1-amine
CID 62424325
4-(azocan-1-yl)-N-methylbutan-1-amine
CID 60841178
N-(2-methoxyethyl)-3-(4-propylpiperazin-1-yl)propan-1-amine
CID 62568582
N-methyl-2-[4-(2-propoxyethyl)piperazin-1-yl]ethanamine
CID 166151976

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(4-propylpiperazin-1-yl)propan-1-amine?
The IUPAC name of N-methyl-3-(4-propylpiperazin-1-yl)propan-1-amine (CID 59478173) is N-methyl-3-(4-propylpiperazin-1-yl)propan-1-amine.
What is the SMILES notation for N-methyl-3-(4-propylpiperazin-1-yl)propan-1-amine?
The canonical SMILES for N-methyl-3-(4-propylpiperazin-1-yl)propan-1-amine is CCCN1CCN(CCCNC)CC1.
What is the InChIKey of N-methyl-3-(4-propylpiperazin-1-yl)propan-1-amine?
The InChIKey is HGWAXXOJWKKCLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N3/c1-3-6-13-8-10-14(11-9-13)7-4-5-12-2/h12H,3-11H2,1-2H3.
What are the key properties of N-methyl-3-(4-propylpiperazin-1-yl)propan-1-amine?
N-methyl-3-(4-propylpiperazin-1-yl)propan-1-amine has a molecular weight of 199.34 g/mol, XLogP of 0.62, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(4-propylpiperazin-1-yl)propan-1-amine is sourced from PubChem (CID 59478173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).