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

C9H21N3 — CID 7219854

IUPACN-methyl-3-(4-methylpiperazin-1-yl)propan-1-amine
SMILESCNCCCN1CCN(C)CC1
InChIInChI=1S/C9H21N3/c1-10-4-3-5-12-8-6-11(2)7-9-12/h10H,3-9H2,1-2H3
InChIKeyHUGARFACUNSTSF-UHFFFAOYSA-N
MW171.29 g/mol
LogP-0.16
Rot. Bonds4

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

N-methyl-3-(4-methylpiperazin-1-yl)propan-1-amine (PubChem CID 7219854) has the molecular formula C9H21N3 and a molecular weight of 171.29 g/mol. Its IUPAC name is N-methyl-3-(4-methylpiperazin-1-yl)propan-1-amine.

Molecular Properties

Compound NameN-methyl-3-(4-methylpiperazin-1-yl)propan-1-amine
PubChem CID7219854
Molecular FormulaC9H21N3
Molecular Weight171.29 g/mol
Exact Mass171.17
IUPAC NameN-methyl-3-(4-methylpiperazin-1-yl)propan-1-amine
SMILESCNCCCN1CCN(C)CC1
InChIInChI=1S/C9H21N3/c1-10-4-3-5-12-8-6-11(2)7-9-12/h10H,3-9H2,1-2H3
InChIKeyHUGARFACUNSTSF-UHFFFAOYSA-N
XLogP-0.16
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.29
LogP ≤ 5-0.16
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

1,4-Bis(3-aminopropyl)piperazine
CID 81629
1-Isopropylpiperazine
CID 78013
1-(2-(Dimethylamino)ethyl)piperazine
CID 2736229
1-(3-Aminopropyl)-4-methylpiperazine
CID 78328
1-(2-Methylpropyl)piperazine
CID 2052052
1-Pentylpiperazine
CID 2737112
2,3,5,6-Tetramethylpiperazine
CID 521970
N-(2-(1-Piperazinyl)ethyl)ethylenediamine
CID 90347
Dimethylpiperazine
CID 198037
1-Butylpiperazine
CID 424322
1-Hexylpiperazine
CID 2736513
N-Propylpiperazinium dibromide
CID 3085288

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(4-methylpiperazin-1-yl)propan-1-amine?
The IUPAC name of N-methyl-3-(4-methylpiperazin-1-yl)propan-1-amine (CID 7219854) is N-methyl-3-(4-methylpiperazin-1-yl)propan-1-amine.
What is the SMILES notation for N-methyl-3-(4-methylpiperazin-1-yl)propan-1-amine?
The canonical SMILES for N-methyl-3-(4-methylpiperazin-1-yl)propan-1-amine is CNCCCN1CCN(C)CC1.
What is the InChIKey of N-methyl-3-(4-methylpiperazin-1-yl)propan-1-amine?
The InChIKey is HUGARFACUNSTSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N3/c1-10-4-3-5-12-8-6-11(2)7-9-12/h10H,3-9H2,1-2H3.
What are the key properties of N-methyl-3-(4-methylpiperazin-1-yl)propan-1-amine?
N-methyl-3-(4-methylpiperazin-1-yl)propan-1-amine has a molecular weight of 171.29 g/mol, XLogP of -0.16, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(4-methylpiperazin-1-yl)propan-1-amine is sourced from PubChem (CID 7219854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).