N'-[2-[(3-methyloxaziridin-3-yl)methylamino]ethyl]ethane-1,2-diamine

C7H18N4O — CID 174949060

IUPACN'-[2-[(3-methyloxaziridin-3-yl)methylamino]ethyl]ethane-1,2-diamine
SMILESCC1(CNCCNCCN)NO1
InChIInChI=1S/C7H18N4O/c1-7(11-12-7)6-10-5-4-9-3-2-8/h9-11H,2-6,8H2,1H3
InChIKeyZZBHBZBXPYJZLE-UHFFFAOYSA-N
MW174.25 g/mol
LogP-1.62
Rot. Bonds7

About N'-[2-[(3-methyloxaziridin-3-yl)methylamino]ethyl]ethane-1,2-diamine

N'-[2-[(3-methyloxaziridin-3-yl)methylamino]ethyl]ethane-1,2-diamine (PubChem CID 174949060) has the molecular formula C7H18N4O and a molecular weight of 174.25 g/mol. Its IUPAC name is N'-[2-[(3-methyloxaziridin-3-yl)methylamino]ethyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[2-[(3-methyloxaziridin-3-yl)methylamino]ethyl]ethane-1,2-diamine
PubChem CID174949060
Molecular FormulaC7H18N4O
Molecular Weight174.25 g/mol
Exact Mass174.15
IUPAC NameN'-[2-[(3-methyloxaziridin-3-yl)methylamino]ethyl]ethane-1,2-diamine
SMILESCC1(CNCCNCCN)NO1
InChIInChI=1S/C7H18N4O/c1-7(11-12-7)6-10-5-4-9-3-2-8/h9-11H,2-6,8H2,1H3
InChIKeyZZBHBZBXPYJZLE-UHFFFAOYSA-N
XLogP-1.62
TPSA84.55 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.25
LogP ≤ 5-1.62
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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
N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine
CID 5565
N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine;pyrrolidine-2,5-dione
CID 19064334
N'-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethyl]ethane-1,2-diamine;pentahydrochloride
CID 10150970
N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine;ethene
CID 159799374
N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine;N'-[2-(3-aminopropylamino)ethyl]propane-1,3-diamine
CID 23206687
λ2-plumbane;N'-[2-(methylamino)ethyl]ethane-1,2-diamine
CID 174769058
N'-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethyl]ethane-1,2-diamine;2-methylprop-1-ene
CID 88832699
N'-[2-[2-(2-aminoethylamino)ethylamino]ethyl]ethane-1,2-diamine;antimony(5+);ethane-1,2-diamine;lanthanum(3+);tetrakis(selenium(2-))
CID 139165833
acetamide;N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine
CID 140516466
acetic acid;N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine
CID 30081
acetic acid;N'-[2-[2-(2-aminoethylamino)ethylamino]ethyl]ethane-1,2-diamine
CID 159794226

Frequently Asked Questions

What is the IUPAC name of N'-[2-[(3-methyloxaziridin-3-yl)methylamino]ethyl]ethane-1,2-diamine?
The IUPAC name of N'-[2-[(3-methyloxaziridin-3-yl)methylamino]ethyl]ethane-1,2-diamine (CID 174949060) is N'-[2-[(3-methyloxaziridin-3-yl)methylamino]ethyl]ethane-1,2-diamine.
What is the SMILES notation for N'-[2-[(3-methyloxaziridin-3-yl)methylamino]ethyl]ethane-1,2-diamine?
The canonical SMILES for N'-[2-[(3-methyloxaziridin-3-yl)methylamino]ethyl]ethane-1,2-diamine is CC1(CNCCNCCN)NO1.
What is the InChIKey of N'-[2-[(3-methyloxaziridin-3-yl)methylamino]ethyl]ethane-1,2-diamine?
The InChIKey is ZZBHBZBXPYJZLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H18N4O/c1-7(11-12-7)6-10-5-4-9-3-2-8/h9-11H,2-6,8H2,1H3.
What are the key properties of N'-[2-[(3-methyloxaziridin-3-yl)methylamino]ethyl]ethane-1,2-diamine?
N'-[2-[(3-methyloxaziridin-3-yl)methylamino]ethyl]ethane-1,2-diamine has a molecular weight of 174.25 g/mol, XLogP of -1.62, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-[(3-methyloxaziridin-3-yl)methylamino]ethyl]ethane-1,2-diamine is sourced from PubChem (CID 174949060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).