N-(2-methoxyethyl)-3-(4-propylpiperazin-1-yl)propan-1-amine

C13H29N3O — CID 62568582

IUPACN-(2-methoxyethyl)-3-(4-propylpiperazin-1-yl)propan-1-amine
SMILESCCCN1CCN(CCCNCCOC)CC1
InChIInChI=1S/C13H29N3O/c1-3-7-15-9-11-16(12-10-15)8-4-5-14-6-13-17-2/h14H,3-13H2,1-2H3
InChIKeyYJIBLTUSPJQALK-UHFFFAOYSA-N
MW243.39 g/mol
LogP0.64
Rot. Bonds9

About N-(2-methoxyethyl)-3-(4-propylpiperazin-1-yl)propan-1-amine

N-(2-methoxyethyl)-3-(4-propylpiperazin-1-yl)propan-1-amine (PubChem CID 62568582) has the molecular formula C13H29N3O and a molecular weight of 243.39 g/mol. Its IUPAC name is N-(2-methoxyethyl)-3-(4-propylpiperazin-1-yl)propan-1-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-3-(4-propylpiperazin-1-yl)propan-1-amine
PubChem CID62568582
Molecular FormulaC13H29N3O
Molecular Weight243.39 g/mol
Exact Mass243.23
IUPAC NameN-(2-methoxyethyl)-3-(4-propylpiperazin-1-yl)propan-1-amine
SMILESCCCN1CCN(CCCNCCOC)CC1
InChIInChI=1S/C13H29N3O/c1-3-7-15-9-11-16(12-10-15)8-4-5-14-6-13-17-2/h14H,3-13H2,1-2H3
InChIKeyYJIBLTUSPJQALK-UHFFFAOYSA-N
XLogP0.64
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
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 N-(2-methoxyethyl)-3-(4-propylpiperazin-1-yl)propan-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

N-(2-methoxyethyl)-3-(4-propan-2-ylpiperazin-1-yl)propan-1-amine
CID 55087286
3-(4-ethylpiperidin-1-yl)-N-(2-methoxyethyl)propan-1-amine
CID 62562042
3-(4,4-dimethylpiperidin-1-yl)-N-(2-methoxyethyl)propan-1-amine
CID 62932034
4-(azepan-1-yl)-N-(2-methoxyethyl)butan-1-amine
CID 62568410
3-(4-butylpiperazin-1-yl)-N-[3-(4-butylpiperazin-1-yl)propyl]propan-1-amine
CID 69028178
N-[2-(2-methoxyethoxy)ethyl]-3-piperidin-1-ylpropan-1-amine
CID 114031951
1-(2-methoxyethylamino)-3-(4-propylpiperazin-1-yl)propan-2-ol
CID 113317417
N-ethyl-4-(4-propylpiperazin-1-yl)butan-1-amine
CID 62424325
N-methyl-3-(4-propylpiperazin-1-yl)propan-1-amine
CID 59478173
1-(2-methoxyethyl)-4-propyl-1,4-diazepane
CID 157028655
N,N'-bis(2-methoxyethyl)butane-1,4-diamine
CID 62568234
N-[2-[2-[2-[2-(4-ethylpiperazin-1-yl)ethoxy]ethoxy]ethoxy]ethyl]butan-1-amine;molecular hydrogen
CID 155582630

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-3-(4-propylpiperazin-1-yl)propan-1-amine?
The IUPAC name of N-(2-methoxyethyl)-3-(4-propylpiperazin-1-yl)propan-1-amine (CID 62568582) is N-(2-methoxyethyl)-3-(4-propylpiperazin-1-yl)propan-1-amine.
What is the SMILES notation for N-(2-methoxyethyl)-3-(4-propylpiperazin-1-yl)propan-1-amine?
The canonical SMILES for N-(2-methoxyethyl)-3-(4-propylpiperazin-1-yl)propan-1-amine is CCCN1CCN(CCCNCCOC)CC1.
What is the InChIKey of N-(2-methoxyethyl)-3-(4-propylpiperazin-1-yl)propan-1-amine?
The InChIKey is YJIBLTUSPJQALK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N3O/c1-3-7-15-9-11-16(12-10-15)8-4-5-14-6-13-17-2/h14H,3-13H2,1-2H3.
What are the key properties of N-(2-methoxyethyl)-3-(4-propylpiperazin-1-yl)propan-1-amine?
N-(2-methoxyethyl)-3-(4-propylpiperazin-1-yl)propan-1-amine has a molecular weight of 243.39 g/mol, XLogP of 0.64, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-3-(4-propylpiperazin-1-yl)propan-1-amine is sourced from PubChem (CID 62568582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).