N-[2-[2-[4-[2-(2-aminoethoxy)ethyl]piperazin-1-yl]ethoxy]ethyl]-2-methylpropan-1-amine

C16H36N4O2 — CID 156795516

IUPACN-[2-[2-[4-[2-(2-aminoethoxy)ethyl]piperazin-1-yl]ethoxy]ethyl]-2-methylpropan-1-amine
SMILESCC(C)CNCCOCCN1CCN(CCOCCN)CC1
InChIInChI=1S/C16H36N4O2/c1-16(2)15-18-4-12-22-14-10-20-7-5-19(6-8-20)9-13-21-11-3-17/h16,18H,3-15,17H2,1-2H3
InChIKeyXWDWCPGDPLTRLN-UHFFFAOYSA-N
MW316.49 g/mol
LogP-0.16
Rot. Bonds13

About N-[2-[2-[4-[2-(2-aminoethoxy)ethyl]piperazin-1-yl]ethoxy]ethyl]-2-methylpropan-1-amine

N-[2-[2-[4-[2-(2-aminoethoxy)ethyl]piperazin-1-yl]ethoxy]ethyl]-2-methylpropan-1-amine (PubChem CID 156795516) has the molecular formula C16H36N4O2 and a molecular weight of 316.49 g/mol. Its IUPAC name is N-[2-[2-[4-[2-(2-aminoethoxy)ethyl]piperazin-1-yl]ethoxy]ethyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[2-[2-[4-[2-(2-aminoethoxy)ethyl]piperazin-1-yl]ethoxy]ethyl]-2-methylpropan-1-amine
PubChem CID156795516
Molecular FormulaC16H36N4O2
Molecular Weight316.49 g/mol
Exact Mass316.28
IUPAC NameN-[2-[2-[4-[2-(2-aminoethoxy)ethyl]piperazin-1-yl]ethoxy]ethyl]-2-methylpropan-1-amine
SMILESCC(C)CNCCOCCN1CCN(CCOCCN)CC1
InChIInChI=1S/C16H36N4O2/c1-16(2)15-18-4-12-22-14-10-20-7-5-19(6-8-20)9-13-21-11-3-17/h16,18H,3-15,17H2,1-2H3
InChIKeyXWDWCPGDPLTRLN-UHFFFAOYSA-N
XLogP-0.16
TPSA62.99 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.49
LogP ≤ 5-0.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-[2-[2-[4-[2-(2-aminoethoxy)ethyl]piperazin-1-yl]ethoxy]ethyl]-2-methylpropan-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

Isobutyl-(3-morpholin-4-yl-propyl)-amine
CID 3151942
1-(2-Propoxyethyl)piperazine
CID 2760475
Methyl[2-methyl-1-(morpholin-4-yl)propan-2-yl]amine
CID 59535411
[2-(2,2-Dimethylmorpholin-4-yl)ethyl](methyl)amine
CID 43592958
N-Isobutyl-N-(2-morpholin-4-ylethyl)amine
CID 4712326
2-fluoro-2-methyl-N-(2-morpholin-4-ylethyl)propan-1-amine
CID 83819744
4-(2-Methylpropyl)morpholin-4-ium
CID 7269393
N-(2-morpholin-4-ylethyl)propan-1-amine
CID 12077347
1-[2-(2-Methylpropoxy)ethyl]piperazine
CID 20094571
N-(2-methoxyethyl)-N'-[2-[2-methoxyethyl(methyl)amino]ethyl]-N'-[2-[2-methoxyethyl(propyl)amino]ethyl]ethane-1,2-diamine
CID 20641944
1-[2-(3-Methylbutoxy)ethyl]piperazine
CID 20811786
N-(2-methoxyethyl)-2-morpholinoethylamine
CID 23116487

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[4-[2-(2-aminoethoxy)ethyl]piperazin-1-yl]ethoxy]ethyl]-2-methylpropan-1-amine?
The IUPAC name of N-[2-[2-[4-[2-(2-aminoethoxy)ethyl]piperazin-1-yl]ethoxy]ethyl]-2-methylpropan-1-amine (CID 156795516) is N-[2-[2-[4-[2-(2-aminoethoxy)ethyl]piperazin-1-yl]ethoxy]ethyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[2-[2-[4-[2-(2-aminoethoxy)ethyl]piperazin-1-yl]ethoxy]ethyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[2-[2-[4-[2-(2-aminoethoxy)ethyl]piperazin-1-yl]ethoxy]ethyl]-2-methylpropan-1-amine is CC(C)CNCCOCCN1CCN(CCOCCN)CC1.
What is the InChIKey of N-[2-[2-[4-[2-(2-aminoethoxy)ethyl]piperazin-1-yl]ethoxy]ethyl]-2-methylpropan-1-amine?
The InChIKey is XWDWCPGDPLTRLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H36N4O2/c1-16(2)15-18-4-12-22-14-10-20-7-5-19(6-8-20)9-13-21-11-3-17/h16,18H,3-15,17H2,1-2H3.
What are the key properties of N-[2-[2-[4-[2-(2-aminoethoxy)ethyl]piperazin-1-yl]ethoxy]ethyl]-2-methylpropan-1-amine?
N-[2-[2-[4-[2-(2-aminoethoxy)ethyl]piperazin-1-yl]ethoxy]ethyl]-2-methylpropan-1-amine has a molecular weight of 316.49 g/mol, XLogP of -0.16, 13 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[4-[2-(2-aminoethoxy)ethyl]piperazin-1-yl]ethoxy]ethyl]-2-methylpropan-1-amine is sourced from PubChem (CID 156795516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).