N'-(2-aminoethyl)-N'-[2-(diethylamino)ethyl]ethane-1,2-diamine

C10H26N4 — CID 107912667

IUPACN'-(2-aminoethyl)-N'-[2-(diethylamino)ethyl]ethane-1,2-diamine
SMILESCCN(CC)CCN(CCN)CCN
InChIInChI=1S/C10H26N4/c1-3-13(4-2)9-10-14(7-5-11)8-6-12/h3-12H2,1-2H3
InChIKeyKYGIOVNKLCNXMH-UHFFFAOYSA-N
MW202.35 g/mol
LogP-0.45
Rot. Bonds9

About N'-(2-aminoethyl)-N'-[2-(diethylamino)ethyl]ethane-1,2-diamine

N'-(2-aminoethyl)-N'-[2-(diethylamino)ethyl]ethane-1,2-diamine (PubChem CID 107912667) has the molecular formula C10H26N4 and a molecular weight of 202.35 g/mol. Its IUPAC name is N'-(2-aminoethyl)-N'-[2-(diethylamino)ethyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(2-aminoethyl)-N'-[2-(diethylamino)ethyl]ethane-1,2-diamine
PubChem CID107912667
Molecular FormulaC10H26N4
Molecular Weight202.35 g/mol
Exact Mass202.22
IUPAC NameN'-(2-aminoethyl)-N'-[2-(diethylamino)ethyl]ethane-1,2-diamine
SMILESCCN(CC)CCN(CCN)CCN
InChIInChI=1S/C10H26N4/c1-3-13(4-2)9-10-14(7-5-11)8-6-12/h3-12H2,1-2H3
InChIKeyKYGIOVNKLCNXMH-UHFFFAOYSA-N
XLogP-0.45
TPSA58.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms14
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.35
LogP ≤ 5-0.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N'-(2-aminoethyl)-N'-[2-(diethylamino)ethyl]ethane-1,2-diamine?
The IUPAC name of N'-(2-aminoethyl)-N'-[2-(diethylamino)ethyl]ethane-1,2-diamine (CID 107912667) is N'-(2-aminoethyl)-N'-[2-(diethylamino)ethyl]ethane-1,2-diamine.
What is the SMILES notation for N'-(2-aminoethyl)-N'-[2-(diethylamino)ethyl]ethane-1,2-diamine?
The canonical SMILES for N'-(2-aminoethyl)-N'-[2-(diethylamino)ethyl]ethane-1,2-diamine is CCN(CC)CCN(CCN)CCN.
What is the InChIKey of N'-(2-aminoethyl)-N'-[2-(diethylamino)ethyl]ethane-1,2-diamine?
The InChIKey is KYGIOVNKLCNXMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H26N4/c1-3-13(4-2)9-10-14(7-5-11)8-6-12/h3-12H2,1-2H3.
What are the key properties of N'-(2-aminoethyl)-N'-[2-(diethylamino)ethyl]ethane-1,2-diamine?
N'-(2-aminoethyl)-N'-[2-(diethylamino)ethyl]ethane-1,2-diamine has a molecular weight of 202.35 g/mol, XLogP of -0.45, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-aminoethyl)-N'-[2-(diethylamino)ethyl]ethane-1,2-diamine is sourced from PubChem (CID 107912667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).