N'-(2-aminoethyl)-N'-[2-(4-aminopiperidin-1-yl)ethyl]ethane-1,2-diamine

C11H27N5 — CID 139362561

IUPACN'-(2-aminoethyl)-N'-[2-(4-aminopiperidin-1-yl)ethyl]ethane-1,2-diamine
SMILESNCCN(CCN)CCN1CCC(N)CC1
InChIInChI=1S/C11H27N5/c12-3-7-16(8-4-13)10-9-15-5-1-11(14)2-6-15/h11H,1-10,12-14H2
InChIKeyXDCYQTXFYYDXBL-UHFFFAOYSA-N
MW229.37 g/mol
LogP-1.37
Rot. Bonds7

About N'-(2-aminoethyl)-N'-[2-(4-aminopiperidin-1-yl)ethyl]ethane-1,2-diamine

N'-(2-aminoethyl)-N'-[2-(4-aminopiperidin-1-yl)ethyl]ethane-1,2-diamine (PubChem CID 139362561) has the molecular formula C11H27N5 and a molecular weight of 229.37 g/mol. Its IUPAC name is N'-(2-aminoethyl)-N'-[2-(4-aminopiperidin-1-yl)ethyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(2-aminoethyl)-N'-[2-(4-aminopiperidin-1-yl)ethyl]ethane-1,2-diamine
PubChem CID139362561
Molecular FormulaC11H27N5
Molecular Weight229.37 g/mol
Exact Mass229.23
IUPAC NameN'-(2-aminoethyl)-N'-[2-(4-aminopiperidin-1-yl)ethyl]ethane-1,2-diamine
SMILESNCCN(CCN)CCN1CCC(N)CC1
InChIInChI=1S/C11H27N5/c12-3-7-16(8-4-13)10-9-15-5-1-11(14)2-6-15/h11H,1-10,12-14H2
InChIKeyXDCYQTXFYYDXBL-UHFFFAOYSA-N
XLogP-1.37
TPSA84.54 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.37
LogP ≤ 5-1.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N'-(2-aminoethyl)-N'-[2-(4-aminopiperidin-1-yl)ethyl]ethane-1,2-diamine?
The IUPAC name of N'-(2-aminoethyl)-N'-[2-(4-aminopiperidin-1-yl)ethyl]ethane-1,2-diamine (CID 139362561) is N'-(2-aminoethyl)-N'-[2-(4-aminopiperidin-1-yl)ethyl]ethane-1,2-diamine.
What is the SMILES notation for N'-(2-aminoethyl)-N'-[2-(4-aminopiperidin-1-yl)ethyl]ethane-1,2-diamine?
The canonical SMILES for N'-(2-aminoethyl)-N'-[2-(4-aminopiperidin-1-yl)ethyl]ethane-1,2-diamine is NCCN(CCN)CCN1CCC(N)CC1.
What is the InChIKey of N'-(2-aminoethyl)-N'-[2-(4-aminopiperidin-1-yl)ethyl]ethane-1,2-diamine?
The InChIKey is XDCYQTXFYYDXBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H27N5/c12-3-7-16(8-4-13)10-9-15-5-1-11(14)2-6-15/h11H,1-10,12-14H2.
What are the key properties of N'-(2-aminoethyl)-N'-[2-(4-aminopiperidin-1-yl)ethyl]ethane-1,2-diamine?
N'-(2-aminoethyl)-N'-[2-(4-aminopiperidin-1-yl)ethyl]ethane-1,2-diamine has a molecular weight of 229.37 g/mol, XLogP of -1.37, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-aminoethyl)-N'-[2-(4-aminopiperidin-1-yl)ethyl]ethane-1,2-diamine is sourced from PubChem (CID 139362561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).