N-ethyl-N'-[2-[ethyl-[2-(4-ethylpiperazin-1-yl)ethyl]amino]ethyl]ethane-1,2-diamine

C16H37N5 — CID 70821539

IUPACN-ethyl-N'-[2-[ethyl-[2-(4-ethylpiperazin-1-yl)ethyl]amino]ethyl]ethane-1,2-diamine
SMILESCCNCCNCCN(CC)CCN1CCN(CC)CC1
InChIInChI=1S/C16H37N5/c1-4-17-7-8-18-9-10-19(5-2)11-14-21-15-12-20(6-3)13-16-21/h17-18H,4-16H2,1-3H3
InChIKeyITJHCWXHVFWETM-UHFFFAOYSA-N
MW299.51 g/mol
LogP0.14
Rot. Bonds12

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

N-ethyl-N'-[2-[ethyl-[2-(4-ethylpiperazin-1-yl)ethyl]amino]ethyl]ethane-1,2-diamine (PubChem CID 70821539) has the molecular formula C16H37N5 and a molecular weight of 299.51 g/mol. Its IUPAC name is N-ethyl-N'-[2-[ethyl-[2-(4-ethylpiperazin-1-yl)ethyl]amino]ethyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN-ethyl-N'-[2-[ethyl-[2-(4-ethylpiperazin-1-yl)ethyl]amino]ethyl]ethane-1,2-diamine
PubChem CID70821539
Molecular FormulaC16H37N5
Molecular Weight299.51 g/mol
Exact Mass299.30
IUPAC NameN-ethyl-N'-[2-[ethyl-[2-(4-ethylpiperazin-1-yl)ethyl]amino]ethyl]ethane-1,2-diamine
SMILESCCNCCNCCN(CC)CCN1CCN(CC)CC1
InChIInChI=1S/C16H37N5/c1-4-17-7-8-18-9-10-19(5-2)11-14-21-15-12-20(6-3)13-16-21/h17-18H,4-16H2,1-3H3
InChIKeyITJHCWXHVFWETM-UHFFFAOYSA-N
XLogP0.14
TPSA33.78 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.51
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N'-[2-[ethyl-[2-(4-ethylpiperazin-1-yl)ethyl]amino]ethyl]ethane-1,2-diamine?
The IUPAC name of N-ethyl-N'-[2-[ethyl-[2-(4-ethylpiperazin-1-yl)ethyl]amino]ethyl]ethane-1,2-diamine (CID 70821539) is N-ethyl-N'-[2-[ethyl-[2-(4-ethylpiperazin-1-yl)ethyl]amino]ethyl]ethane-1,2-diamine.
What is the SMILES notation for N-ethyl-N'-[2-[ethyl-[2-(4-ethylpiperazin-1-yl)ethyl]amino]ethyl]ethane-1,2-diamine?
The canonical SMILES for N-ethyl-N'-[2-[ethyl-[2-(4-ethylpiperazin-1-yl)ethyl]amino]ethyl]ethane-1,2-diamine is CCNCCNCCN(CC)CCN1CCN(CC)CC1.
What is the InChIKey of N-ethyl-N'-[2-[ethyl-[2-(4-ethylpiperazin-1-yl)ethyl]amino]ethyl]ethane-1,2-diamine?
The InChIKey is ITJHCWXHVFWETM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H37N5/c1-4-17-7-8-18-9-10-19(5-2)11-14-21-15-12-20(6-3)13-16-21/h17-18H,4-16H2,1-3H3.
What are the key properties of N-ethyl-N'-[2-[ethyl-[2-(4-ethylpiperazin-1-yl)ethyl]amino]ethyl]ethane-1,2-diamine?
N-ethyl-N'-[2-[ethyl-[2-(4-ethylpiperazin-1-yl)ethyl]amino]ethyl]ethane-1,2-diamine has a molecular weight of 299.51 g/mol, XLogP of 0.14, 12 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N'-[2-[ethyl-[2-(4-ethylpiperazin-1-yl)ethyl]amino]ethyl]ethane-1,2-diamine is sourced from PubChem (CID 70821539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).