N-[3-(3-ethyl-4-methylpiperazin-1-yl)propyl]-2-methylpropan-1-amine

C14H31N3 — CID 63611055

IUPACN-[3-(3-ethyl-4-methylpiperazin-1-yl)propyl]-2-methylpropan-1-amine
SMILESCCC1CN(CCCNCC(C)C)CCN1C
InChIInChI=1S/C14H31N3/c1-5-14-12-17(10-9-16(14)4)8-6-7-15-11-13(2)3/h13-15H,5-12H2,1-4H3
InChIKeyTUXOJIAXLZVWML-UHFFFAOYSA-N
MW241.42 g/mol
LogP1.65
Rot. Bonds7

About N-[3-(3-ethyl-4-methylpiperazin-1-yl)propyl]-2-methylpropan-1-amine

N-[3-(3-ethyl-4-methylpiperazin-1-yl)propyl]-2-methylpropan-1-amine (PubChem CID 63611055) has the molecular formula C14H31N3 and a molecular weight of 241.42 g/mol. Its IUPAC name is N-[3-(3-ethyl-4-methylpiperazin-1-yl)propyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[3-(3-ethyl-4-methylpiperazin-1-yl)propyl]-2-methylpropan-1-amine
PubChem CID63611055
Molecular FormulaC14H31N3
Molecular Weight241.42 g/mol
Exact Mass241.25
IUPAC NameN-[3-(3-ethyl-4-methylpiperazin-1-yl)propyl]-2-methylpropan-1-amine
SMILESCCC1CN(CCCNCC(C)C)CCN1C
InChIInChI=1S/C14H31N3/c1-5-14-12-17(10-9-16(14)4)8-6-7-15-11-13(2)3/h13-15H,5-12H2,1-4H3
InChIKeyTUXOJIAXLZVWML-UHFFFAOYSA-N
XLogP1.65
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.42
LogP ≤ 51.65
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

N-[3-(3,4-dimethylpiperazin-1-yl)propyl]-2-methylpropan-1-amine
CID 63609305
5-(3-ethyl-4-methylpiperazin-1-yl)-N-methylpentan-2-amine
CID 63611231
5-(3-ethyl-4-methylpiperazin-1-yl)-N-propylpentan-2-amine
CID 63608601
5-(3-ethyl-4-methylpiperazin-1-yl)pentan-2-amine
CID 63608603
2-[(3-ethyl-4-methylpiperazin-1-yl)methyl]-2-methyl-N-(2-methylpropyl)butan-1-amine
CID 63620912
N-[[5-[(3-ethyl-4-methylpiperazin-1-yl)methyl]thiophen-2-yl]methyl]-2-methylpropan-1-amine
CID 107556838
3-ethoxy-N-[2-(3-ethyl-4-methylpiperazin-1-yl)ethyl]propan-1-amine
CID 63619835
4-(4-bromobutyl)-2-ethyl-1-methylpiperazine
CID 63636075
4-(6-chlorohexyl)-2-ethyl-1-methylpiperazine
CID 63635899
N-[3-[3-(methoxymethyl)pyrrolidin-1-yl]propyl]-2-methylpropan-1-amine
CID 64570291
N-[(4-bromothiophen-2-yl)methyl]-2-(3-ethyl-4-methylpiperazin-1-yl)ethanamine
CID 55217013
5-(4-ethylpiperidin-1-yl)-N-(2-methylpropyl)pentan-1-amine
CID 55069235

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-ethyl-4-methylpiperazin-1-yl)propyl]-2-methylpropan-1-amine?
The IUPAC name of N-[3-(3-ethyl-4-methylpiperazin-1-yl)propyl]-2-methylpropan-1-amine (CID 63611055) is N-[3-(3-ethyl-4-methylpiperazin-1-yl)propyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[3-(3-ethyl-4-methylpiperazin-1-yl)propyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[3-(3-ethyl-4-methylpiperazin-1-yl)propyl]-2-methylpropan-1-amine is CCC1CN(CCCNCC(C)C)CCN1C.
What is the InChIKey of N-[3-(3-ethyl-4-methylpiperazin-1-yl)propyl]-2-methylpropan-1-amine?
The InChIKey is TUXOJIAXLZVWML-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31N3/c1-5-14-12-17(10-9-16(14)4)8-6-7-15-11-13(2)3/h13-15H,5-12H2,1-4H3.
What are the key properties of N-[3-(3-ethyl-4-methylpiperazin-1-yl)propyl]-2-methylpropan-1-amine?
N-[3-(3-ethyl-4-methylpiperazin-1-yl)propyl]-2-methylpropan-1-amine has a molecular weight of 241.42 g/mol, XLogP of 1.65, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-ethyl-4-methylpiperazin-1-yl)propyl]-2-methylpropan-1-amine is sourced from PubChem (CID 63611055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).