N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-3-(3-methyldiazirin-3-yl)propanamide

C11H22N4O3 — CID 155384555

IUPACN-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-3-(3-methyldiazirin-3-yl)propanamide
SMILESCC1(CCC(=O)NCCOCCOCCN)N=N1
InChIInChI=1S/C11H22N4O3/c1-11(14-15-11)3-2-10(16)13-5-7-18-9-8-17-6-4-12/h2-9,12H2,1H3,(H,13,16)
InChIKeyVTNGHBVPNLNWOW-UHFFFAOYSA-N
MW258.32 g/mol
LogP0.06
Rot. Bonds11

About N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-3-(3-methyldiazirin-3-yl)propanamide

N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-3-(3-methyldiazirin-3-yl)propanamide (PubChem CID 155384555) has the molecular formula C11H22N4O3 and a molecular weight of 258.32 g/mol. Its IUPAC name is N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-3-(3-methyldiazirin-3-yl)propanamide.

Molecular Properties

Compound NameN-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-3-(3-methyldiazirin-3-yl)propanamide
PubChem CID155384555
Molecular FormulaC11H22N4O3
Molecular Weight258.32 g/mol
Exact Mass258.17
IUPAC NameN-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-3-(3-methyldiazirin-3-yl)propanamide
SMILESCC1(CCC(=O)NCCOCCOCCN)N=N1
InChIInChI=1S/C11H22N4O3/c1-11(14-15-11)3-2-10(16)13-5-7-18-9-8-17-6-4-12/h2-9,12H2,1H3,(H,13,16)
InChIKeyVTNGHBVPNLNWOW-UHFFFAOYSA-N
XLogP0.06
TPSA98.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 50.06
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-(2-aminoethoxy)ethoxy]ethyl]-3-(3-methyldiazirin-3-yl)propanamide 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-(3-methyldiazirin-3-yl)-N-[2-[3-(3-methyldiazirin-3-yl)propanoylamino]ethyl]propanamide
CID 170917059
N-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-4-methylpentanamide
CID 162756086
3-[2-(2-aminoethoxy)ethoxy]-N-[2-[2-(3-oxobutoxy)ethoxy]ethyl]propanamide
CID 145049533
N-[2-[2-[3-(2-aminoethoxy)propanoylamino]ethoxy]ethyl]butanamide
CID 168852472
6-amino-N-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]hexanamide
CID 178049768
N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]hexadecanamide
CID 87320335
3-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-N-propylpropanamide
CID 176761961
N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-9-hydroxynonanamide
CID 155740106
N'-[2-[2-[2-[[4-[2-[2-[2-[[4-[2-[2-(2-aminoethoxy)ethoxy]ethylamino]-4-oxobutanoyl]amino]ethoxy]ethoxy]ethylamino]-4-oxobutanoyl]amino]ethoxy]ethoxy]ethyl]-N-[3-oxo-3-(prop-2-ynylamino)propyl]butanediamide
CID 168787195
N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-3,3-dimethylbutanamide
CID 139566565
tert-butyl N-[2-[2-[2-(3-aminopropanoylamino)ethoxy]ethoxy]ethyl]carbamate
CID 166726831
3-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-N-butylpropanamide
CID 171850519

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-3-(3-methyldiazirin-3-yl)propanamide?
The IUPAC name of N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-3-(3-methyldiazirin-3-yl)propanamide (CID 155384555) is N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-3-(3-methyldiazirin-3-yl)propanamide.
What is the SMILES notation for N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-3-(3-methyldiazirin-3-yl)propanamide?
The canonical SMILES for N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-3-(3-methyldiazirin-3-yl)propanamide is CC1(CCC(=O)NCCOCCOCCN)N=N1.
What is the InChIKey of N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-3-(3-methyldiazirin-3-yl)propanamide?
The InChIKey is VTNGHBVPNLNWOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4O3/c1-11(14-15-11)3-2-10(16)13-5-7-18-9-8-17-6-4-12/h2-9,12H2,1H3,(H,13,16).
What are the key properties of N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-3-(3-methyldiazirin-3-yl)propanamide?
N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-3-(3-methyldiazirin-3-yl)propanamide has a molecular weight of 258.32 g/mol, XLogP of 0.06, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-3-(3-methyldiazirin-3-yl)propanamide is sourced from PubChem (CID 155384555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).