N-methyl-3-[4-(2-methylpropyl)piperazin-1-yl]propan-1-amine

C12H27N3 — CID 62775254

IUPACN-methyl-3-[4-(2-methylpropyl)piperazin-1-yl]propan-1-amine
SMILESCNCCCN1CCN(CC(C)C)CC1
InChIInChI=1S/C12H27N3/c1-12(2)11-15-9-7-14(8-10-15)6-4-5-13-3/h12-13H,4-11H2,1-3H3
InChIKeyMNDSCYIBTONOBC-UHFFFAOYSA-N
MW213.37 g/mol
LogP0.87
Rot. Bonds6

About N-methyl-3-[4-(2-methylpropyl)piperazin-1-yl]propan-1-amine

N-methyl-3-[4-(2-methylpropyl)piperazin-1-yl]propan-1-amine (PubChem CID 62775254) has the molecular formula C12H27N3 and a molecular weight of 213.37 g/mol. Its IUPAC name is N-methyl-3-[4-(2-methylpropyl)piperazin-1-yl]propan-1-amine.

Molecular Properties

Compound NameN-methyl-3-[4-(2-methylpropyl)piperazin-1-yl]propan-1-amine
PubChem CID62775254
Molecular FormulaC12H27N3
Molecular Weight213.37 g/mol
Exact Mass213.22
IUPAC NameN-methyl-3-[4-(2-methylpropyl)piperazin-1-yl]propan-1-amine
SMILESCNCCCN1CCN(CC(C)C)CC1
InChIInChI=1S/C12H27N3/c1-12(2)11-15-9-7-14(8-10-15)6-4-5-13-3/h12-13H,4-11H2,1-3H3
InChIKeyMNDSCYIBTONOBC-UHFFFAOYSA-N
XLogP0.87
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.37
LogP ≤ 50.87
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-methylpentyl)-4-(2-methylpropyl)piperazine
CID 21131473
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-(methylamino)propyl]piperazin-1-yl]propan-1-amine
CID 20647742
4-[4-(2-methylpropyl)piperazin-1-yl]butan-1-ol
CID 62777800
N-methyl-3-pyrrolidin-1-ylpropan-1-amine;molecular hydrogen
CID 143591105
ethane;methane;3-[4-[3-(methylamino)propyl]piperazin-1-yl]propan-1-amine
CID 165403738
3-(4-tert-butylpiperazin-1-yl)-N-methylpropan-1-amine
CID 61430977
1-[2-(4-methylpentoxy)ethyl]-4-(2-methylpropyl)piperazine
CID 138727344
1-methyl-4-(2-methylpropyl)piperazine
CID 20562082
N-methyl-4-[1-(2-methylpropyl)piperidin-4-yl]oxybutan-1-amine
CID 155455465
2-[4-(2-methylpropyl)piperazin-1-yl]ethanamine
CID 4742453

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[4-(2-methylpropyl)piperazin-1-yl]propan-1-amine?
The IUPAC name of N-methyl-3-[4-(2-methylpropyl)piperazin-1-yl]propan-1-amine (CID 62775254) is N-methyl-3-[4-(2-methylpropyl)piperazin-1-yl]propan-1-amine.
What is the SMILES notation for N-methyl-3-[4-(2-methylpropyl)piperazin-1-yl]propan-1-amine?
The canonical SMILES for N-methyl-3-[4-(2-methylpropyl)piperazin-1-yl]propan-1-amine is CNCCCN1CCN(CC(C)C)CC1.
What is the InChIKey of N-methyl-3-[4-(2-methylpropyl)piperazin-1-yl]propan-1-amine?
The InChIKey is MNDSCYIBTONOBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N3/c1-12(2)11-15-9-7-14(8-10-15)6-4-5-13-3/h12-13H,4-11H2,1-3H3.
What are the key properties of N-methyl-3-[4-(2-methylpropyl)piperazin-1-yl]propan-1-amine?
N-methyl-3-[4-(2-methylpropyl)piperazin-1-yl]propan-1-amine has a molecular weight of 213.37 g/mol, XLogP of 0.87, 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-(2-methylpropyl)piperazin-1-yl]propan-1-amine is sourced from PubChem (CID 62775254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).