4-(2,4-dimethylpiperazin-1-yl)-N-(2-methoxyethyl)butan-1-amine

C13H29N3O — CID 114087888

IUPAC4-(2,4-dimethylpiperazin-1-yl)-N-(2-methoxyethyl)butan-1-amine
SMILESCOCCNCCCCN1CCN(C)CC1C
InChIInChI=1S/C13H29N3O/c1-13-12-15(2)9-10-16(13)8-5-4-6-14-7-11-17-3/h13-14H,4-12H2,1-3H3
InChIKeyRGYFUFTZFJKDDB-UHFFFAOYSA-N
MW243.39 g/mol
LogP0.64
Rot. Bonds8

About 4-(2,4-dimethylpiperazin-1-yl)-N-(2-methoxyethyl)butan-1-amine

4-(2,4-dimethylpiperazin-1-yl)-N-(2-methoxyethyl)butan-1-amine (PubChem CID 114087888) has the molecular formula C13H29N3O and a molecular weight of 243.39 g/mol. Its IUPAC name is 4-(2,4-dimethylpiperazin-1-yl)-N-(2-methoxyethyl)butan-1-amine.

Molecular Properties

Compound Name4-(2,4-dimethylpiperazin-1-yl)-N-(2-methoxyethyl)butan-1-amine
PubChem CID114087888
Molecular FormulaC13H29N3O
Molecular Weight243.39 g/mol
Exact Mass243.23
IUPAC Name4-(2,4-dimethylpiperazin-1-yl)-N-(2-methoxyethyl)butan-1-amine
SMILESCOCCNCCCCN1CCN(C)CC1C
InChIInChI=1S/C13H29N3O/c1-13-12-15(2)9-10-16(13)8-5-4-6-14-7-11-17-3/h13-14H,4-12H2,1-3H3
InChIKeyRGYFUFTZFJKDDB-UHFFFAOYSA-N
XLogP0.64
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-(2,4-dimethylpiperazin-1-yl)-N-(2-methoxyethyl)butan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(2,4-dimethylpiperidin-1-yl)-N-(2-methoxyethyl)propan-1-amine
CID 62570245
N-tert-butyl-5-(2,4-dimethylpiperazin-1-yl)pentan-1-amine
CID 114087794
9-(2,4-dimethylpiperazin-1-yl)nonane-1-thiol
CID 114086760
4-(3,4-dimethoxypyrrolidin-1-yl)-N-(2-methoxyethyl)butan-1-amine
CID 103540134
2-methoxy-N-[(1-methylazetidin-3-yl)methyl]ethanamine
CID 134180077
N,N'-bis(2-methoxyethyl)butane-1,4-diamine
CID 62568234
4-(azepan-1-yl)-N-(2-methoxyethyl)butan-1-amine
CID 62568410
N-[2-(3-methoxypropoxy)ethyl]-3-(2-methylpiperidin-1-yl)propan-1-amine
CID 103178390
N-(2-methoxyethyl)-4-(3-pyrrolidin-1-ylpyrrolidin-1-yl)butan-1-amine
CID 55158579
N-(2-methoxyethyl)-4-(2-propylpiperidin-1-yl)butan-1-amine
CID 83061940
(2R)-N-(3-methoxypropyl)-2,4-dimethylpiperazine-1-carboxamide
CID 97093874
N-(2-methoxyethyl)-4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)butan-1-amine
CID 66371612

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dimethylpiperazin-1-yl)-N-(2-methoxyethyl)butan-1-amine?
The IUPAC name of 4-(2,4-dimethylpiperazin-1-yl)-N-(2-methoxyethyl)butan-1-amine (CID 114087888) is 4-(2,4-dimethylpiperazin-1-yl)-N-(2-methoxyethyl)butan-1-amine.
What is the SMILES notation for 4-(2,4-dimethylpiperazin-1-yl)-N-(2-methoxyethyl)butan-1-amine?
The canonical SMILES for 4-(2,4-dimethylpiperazin-1-yl)-N-(2-methoxyethyl)butan-1-amine is COCCNCCCCN1CCN(C)CC1C.
What is the InChIKey of 4-(2,4-dimethylpiperazin-1-yl)-N-(2-methoxyethyl)butan-1-amine?
The InChIKey is RGYFUFTZFJKDDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N3O/c1-13-12-15(2)9-10-16(13)8-5-4-6-14-7-11-17-3/h13-14H,4-12H2,1-3H3.
What are the key properties of 4-(2,4-dimethylpiperazin-1-yl)-N-(2-methoxyethyl)butan-1-amine?
4-(2,4-dimethylpiperazin-1-yl)-N-(2-methoxyethyl)butan-1-amine has a molecular weight of 243.39 g/mol, XLogP of 0.64, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dimethylpiperazin-1-yl)-N-(2-methoxyethyl)butan-1-amine is sourced from PubChem (CID 114087888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).