N'-[3-(2-aminoethoxy)propyl]ethane-1,2-diamine

C7H19N3O — CID 123161317

IUPACN'-[3-(2-aminoethoxy)propyl]ethane-1,2-diamine
SMILESNCCNCCCOCCN
InChIInChI=1S/C7H19N3O/c8-2-5-10-4-1-6-11-7-3-9/h10H,1-9H2
InChIKeyHNWZEJYMMNOBFM-UHFFFAOYSA-N
MW161.25 g/mol
LogP-1.10
Rot. Bonds8

About N'-[3-(2-aminoethoxy)propyl]ethane-1,2-diamine

N'-[3-(2-aminoethoxy)propyl]ethane-1,2-diamine (PubChem CID 123161317) has the molecular formula C7H19N3O and a molecular weight of 161.25 g/mol. Its IUPAC name is N'-[3-(2-aminoethoxy)propyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[3-(2-aminoethoxy)propyl]ethane-1,2-diamine
PubChem CID123161317
Molecular FormulaC7H19N3O
Molecular Weight161.25 g/mol
Exact Mass161.15
IUPAC NameN'-[3-(2-aminoethoxy)propyl]ethane-1,2-diamine
SMILESNCCNCCCOCCN
InChIInChI=1S/C7H19N3O/c8-2-5-10-4-1-6-11-7-3-9/h10H,1-9H2
InChIKeyHNWZEJYMMNOBFM-UHFFFAOYSA-N
XLogP-1.10
TPSA73.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.25
LogP ≤ 5-1.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[2-(2-aminoethoxy)ethylamino]ethoxy]ethanamine
CID 15792937
N'-[2-[bis[2-(2-aminoethoxy)ethyl]amino]ethyl]ethane-1,2-diamine
CID 176987325
N-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]pentan-1-amine
CID 175309381
2-(2-aminoethoxy)ethanol;3-[2-[2-[2-[2-(3-aminopropoxy)ethoxy]ethylamino]ethoxy]ethoxy]propan-1-amine
CID 88780481
4-(3-aminopropoxy)-N-[3-(3-methylbutoxy)propyl]butan-1-amine
CID 57194554
N'-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethyl]ethane-1,2-diamine;N'-[2-[2-(2-aminoethylamino)ethylamino]ethyl]ethane-1,2-diamine;N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine;N'-(2-aminoethyl)ethane-1,2-diamine
CID 159410169
2-(2-aminoethoxy)ethanamine;azane
CID 87273439
N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine
CID 5565
N'-[3-(2,2-difluoroethoxy)propyl]propane-1,3-diamine
CID 103208149
1-(2-aminoethoxy)-3-(sulfinoamino)propane
CID 146230326
5-(2-aminoethoxy)pentan-1-amine
CID 58473832
4-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]butan-1-amine
CID 22901826

Frequently Asked Questions

What is the IUPAC name of N'-[3-(2-aminoethoxy)propyl]ethane-1,2-diamine?
The IUPAC name of N'-[3-(2-aminoethoxy)propyl]ethane-1,2-diamine (CID 123161317) is N'-[3-(2-aminoethoxy)propyl]ethane-1,2-diamine.
What is the SMILES notation for N'-[3-(2-aminoethoxy)propyl]ethane-1,2-diamine?
The canonical SMILES for N'-[3-(2-aminoethoxy)propyl]ethane-1,2-diamine is NCCNCCCOCCN.
What is the InChIKey of N'-[3-(2-aminoethoxy)propyl]ethane-1,2-diamine?
The InChIKey is HNWZEJYMMNOBFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H19N3O/c8-2-5-10-4-1-6-11-7-3-9/h10H,1-9H2.
What are the key properties of N'-[3-(2-aminoethoxy)propyl]ethane-1,2-diamine?
N'-[3-(2-aminoethoxy)propyl]ethane-1,2-diamine has a molecular weight of 161.25 g/mol, XLogP of -1.10, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-(2-aminoethoxy)propyl]ethane-1,2-diamine is sourced from PubChem (CID 123161317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).