N-[2-(3,4-dimethylpiperazin-1-yl)ethyl]propan-1-amine

C11H25N3 — CID 63608579

IUPACN-[2-(3,4-dimethylpiperazin-1-yl)ethyl]propan-1-amine
SMILESCCCNCCN1CCN(C)C(C)C1
InChIInChI=1S/C11H25N3/c1-4-5-12-6-7-14-9-8-13(3)11(2)10-14/h11-12H,4-10H2,1-3H3
InChIKeyBJASZHHFNNGTJG-UHFFFAOYSA-N
MW199.34 g/mol
LogP0.62
Rot. Bonds5

About N-[2-(3,4-dimethylpiperazin-1-yl)ethyl]propan-1-amine

N-[2-(3,4-dimethylpiperazin-1-yl)ethyl]propan-1-amine (PubChem CID 63608579) has the molecular formula C11H25N3 and a molecular weight of 199.34 g/mol. Its IUPAC name is N-[2-(3,4-dimethylpiperazin-1-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(3,4-dimethylpiperazin-1-yl)ethyl]propan-1-amine
PubChem CID63608579
Molecular FormulaC11H25N3
Molecular Weight199.34 g/mol
Exact Mass199.20
IUPAC NameN-[2-(3,4-dimethylpiperazin-1-yl)ethyl]propan-1-amine
SMILESCCCNCCN1CCN(C)C(C)C1
InChIInChI=1S/C11H25N3/c1-4-5-12-6-7-14-9-8-13(3)11(2)10-14/h11-12H,4-10H2,1-3H3
InChIKeyBJASZHHFNNGTJG-UHFFFAOYSA-N
XLogP0.62
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
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

2-(3,4-dimethylpiperazin-1-yl)-N-(2-ethoxyethyl)ethanamine
CID 63620338
N-(2-butoxyethyl)-2-(3,4-dimethylpiperazin-1-yl)ethanamine
CID 55216424
N-[2-(3,4-dimethylpiperazin-1-yl)ethyl]-3-ethoxypropan-1-amine
CID 63621516
N-(cyclopentylmethyl)-2-(3,4-dimethylpiperazin-1-yl)ethanamine
CID 55216811
N-(cyclohexylmethyl)-2-(3,4-dimethylpiperazin-1-yl)ethanamine
CID 55216809
N-[2-(3,4-dimethylpiperazin-1-yl)ethyl]propan-2-amine
CID 63609661
N-[[2-[(3,4-dimethylpiperazin-1-yl)methyl]phenyl]methyl]propan-1-amine
CID 63620637
ethane;4-ethyl-1,2-dimethylpiperazine
CID 142283351
N-[2-(3,4-dimethylpiperazin-1-yl)ethyl]-2-thiophen-2-ylethanamine
CID 55216427
N-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethyl]propan-1-amine
CID 53215720
1-cyclopropyl-N-[2-(3,4-dimethylpiperazin-1-yl)ethyl]ethanamine
CID 63621690
N-[3-(3,4-dimethylpiperazin-1-yl)propyl]-2-methylpropan-1-amine
CID 63609305

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethylpiperazin-1-yl)ethyl]propan-1-amine?
The IUPAC name of N-[2-(3,4-dimethylpiperazin-1-yl)ethyl]propan-1-amine (CID 63608579) is N-[2-(3,4-dimethylpiperazin-1-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-(3,4-dimethylpiperazin-1-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[2-(3,4-dimethylpiperazin-1-yl)ethyl]propan-1-amine is CCCNCCN1CCN(C)C(C)C1.
What is the InChIKey of N-[2-(3,4-dimethylpiperazin-1-yl)ethyl]propan-1-amine?
The InChIKey is BJASZHHFNNGTJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N3/c1-4-5-12-6-7-14-9-8-13(3)11(2)10-14/h11-12H,4-10H2,1-3H3.
What are the key properties of N-[2-(3,4-dimethylpiperazin-1-yl)ethyl]propan-1-amine?
N-[2-(3,4-dimethylpiperazin-1-yl)ethyl]propan-1-amine has a molecular weight of 199.34 g/mol, XLogP of 0.62, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethylpiperazin-1-yl)ethyl]propan-1-amine is sourced from PubChem (CID 63608579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).