N'-[2-(aziridin-1-yl)ethyl]-N-ethylethane-1,2-diamine

C8H19N3 — CID 20801424

IUPACN'-[2-(aziridin-1-yl)ethyl]-N-ethylethane-1,2-diamine
SMILESCCNCCNCCN1CC1
InChIInChI=1S/C8H19N3/c1-2-9-3-4-10-5-6-11-7-8-11/h9-10H,2-8H2,1H3
InChIKeyCQWIBQWWWRAZFX-UHFFFAOYSA-N
MW157.26 g/mol
LogP-0.50
Rot. Bonds7

About N'-[2-(aziridin-1-yl)ethyl]-N-ethylethane-1,2-diamine

N'-[2-(aziridin-1-yl)ethyl]-N-ethylethane-1,2-diamine (PubChem CID 20801424) has the molecular formula C8H19N3 and a molecular weight of 157.26 g/mol. Its IUPAC name is N'-[2-(aziridin-1-yl)ethyl]-N-ethylethane-1,2-diamine.

Molecular Properties

Compound NameN'-[2-(aziridin-1-yl)ethyl]-N-ethylethane-1,2-diamine
PubChem CID20801424
Molecular FormulaC8H19N3
Molecular Weight157.26 g/mol
Exact Mass157.16
IUPAC NameN'-[2-(aziridin-1-yl)ethyl]-N-ethylethane-1,2-diamine
SMILESCCNCCNCCN1CC1
InChIInChI=1S/C8H19N3/c1-2-9-3-4-10-5-6-11-7-8-11/h9-10H,2-8H2,1H3
InChIKeyCQWIBQWWWRAZFX-UHFFFAOYSA-N
XLogP-0.50
TPSA27.07 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 5-0.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-propyl-N'-(2-pyrrolidin-1-ylethyl)ethane-1,2-diamine
CID 53215588
1-[2-(ethylamino)ethyl]-4-methylpiperidin-4-ol
CID 81103848
N-ethyl-N'-[2-[ethyl-[2-(4-ethylpiperazin-1-yl)ethyl]amino]ethyl]ethane-1,2-diamine
CID 70821539
N-ethyl-2-(1,4-thiazepan-4-yl)ethanamine
CID 61419848
ethane;N-methyl-N'-[2-(4-methylpiperazin-1-yl)ethyl]ethane-1,2-diamine
CID 171070522
N-ethyl-4-(4-propylpiperazin-1-yl)butan-1-amine
CID 62424325
2-pyrrolidin-1-yl-N-(2-pyrrolidin-1-ylethyl)ethanamine
CID 19869583
N',N'-diethyl-N-[2-[4-[2-(ethylamino)ethyl]piperazin-1-yl]ethyl]-N-methylethane-1,2-diamine
CID 91574752
N-ethyl-2-(3-propylazetidin-1-yl)ethanamine
CID 79677772
N-ethyl-3-pyrrolidin-1-ylpropan-1-amine
CID 23440046
N-[2-(4-methyl-1,4-diazepan-1-yl)ethyl]propan-1-amine
CID 61386658
tert-butyl 4-[2-(ethylamino)ethyl]piperazine-1-carboxylate
CID 107243537

Frequently Asked Questions

What is the IUPAC name of N'-[2-(aziridin-1-yl)ethyl]-N-ethylethane-1,2-diamine?
The IUPAC name of N'-[2-(aziridin-1-yl)ethyl]-N-ethylethane-1,2-diamine (CID 20801424) is N'-[2-(aziridin-1-yl)ethyl]-N-ethylethane-1,2-diamine.
What is the SMILES notation for N'-[2-(aziridin-1-yl)ethyl]-N-ethylethane-1,2-diamine?
The canonical SMILES for N'-[2-(aziridin-1-yl)ethyl]-N-ethylethane-1,2-diamine is CCNCCNCCN1CC1.
What is the InChIKey of N'-[2-(aziridin-1-yl)ethyl]-N-ethylethane-1,2-diamine?
The InChIKey is CQWIBQWWWRAZFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N3/c1-2-9-3-4-10-5-6-11-7-8-11/h9-10H,2-8H2,1H3.
What are the key properties of N'-[2-(aziridin-1-yl)ethyl]-N-ethylethane-1,2-diamine?
N'-[2-(aziridin-1-yl)ethyl]-N-ethylethane-1,2-diamine has a molecular weight of 157.26 g/mol, XLogP of -0.50, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(aziridin-1-yl)ethyl]-N-ethylethane-1,2-diamine is sourced from PubChem (CID 20801424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).