N'-(2-aminoethyl)-N'-[2-(cyclohexadec-8-en-1-ylamino)ethyl]ethane-1,2-diamine

C22H46N4 — CID 54366985

IUPACN'-(2-aminoethyl)-N'-[2-(cyclohexadec-8-en-1-ylamino)ethyl]ethane-1,2-diamine
SMILESNCCN(CCN)CCNC1CCCCCCC=CCCCCCCC1
InChIInChI=1S/C22H46N4/c23-16-19-26(20-17-24)21-18-25-22-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-22/h1-2,22,25H,3-21,23-24H2
InChIKeyUQMBMZPZJDOOIB-UHFFFAOYSA-N
MW366.64 g/mol
LogP3.81
Rot. Bonds8

About N'-(2-aminoethyl)-N'-[2-(cyclohexadec-8-en-1-ylamino)ethyl]ethane-1,2-diamine

N'-(2-aminoethyl)-N'-[2-(cyclohexadec-8-en-1-ylamino)ethyl]ethane-1,2-diamine (PubChem CID 54366985) has the molecular formula C22H46N4 and a molecular weight of 366.64 g/mol. Its IUPAC name is N'-(2-aminoethyl)-N'-[2-(cyclohexadec-8-en-1-ylamino)ethyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(2-aminoethyl)-N'-[2-(cyclohexadec-8-en-1-ylamino)ethyl]ethane-1,2-diamine
PubChem CID54366985
Molecular FormulaC22H46N4
Molecular Weight366.64 g/mol
Exact Mass366.37
IUPAC NameN'-(2-aminoethyl)-N'-[2-(cyclohexadec-8-en-1-ylamino)ethyl]ethane-1,2-diamine
SMILESNCCN(CCN)CCNC1CCCCCCC=CCCCCCCC1
InChIInChI=1S/C22H46N4/c23-16-19-26(20-17-24)21-18-25-22-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-22/h1-2,22,25H,3-21,23-24H2
InChIKeyUQMBMZPZJDOOIB-UHFFFAOYSA-N
XLogP3.81
TPSA67.31 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.64
LogP ≤ 53.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-(2-aminoethyl)-N'-[2-(cyclohexadec-8-en-1-ylamino)ethyl]ethane-1,2-diamine?
The IUPAC name of N'-(2-aminoethyl)-N'-[2-(cyclohexadec-8-en-1-ylamino)ethyl]ethane-1,2-diamine (CID 54366985) is N'-(2-aminoethyl)-N'-[2-(cyclohexadec-8-en-1-ylamino)ethyl]ethane-1,2-diamine.
What is the SMILES notation for N'-(2-aminoethyl)-N'-[2-(cyclohexadec-8-en-1-ylamino)ethyl]ethane-1,2-diamine?
The canonical SMILES for N'-(2-aminoethyl)-N'-[2-(cyclohexadec-8-en-1-ylamino)ethyl]ethane-1,2-diamine is NCCN(CCN)CCNC1CCCCCCC=CCCCCCCC1.
What is the InChIKey of N'-(2-aminoethyl)-N'-[2-(cyclohexadec-8-en-1-ylamino)ethyl]ethane-1,2-diamine?
The InChIKey is UQMBMZPZJDOOIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H46N4/c23-16-19-26(20-17-24)21-18-25-22-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-22/h1-2,22,25H,3-21,23-24H2.
What are the key properties of N'-(2-aminoethyl)-N'-[2-(cyclohexadec-8-en-1-ylamino)ethyl]ethane-1,2-diamine?
N'-(2-aminoethyl)-N'-[2-(cyclohexadec-8-en-1-ylamino)ethyl]ethane-1,2-diamine has a molecular weight of 366.64 g/mol, XLogP of 3.81, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-aminoethyl)-N'-[2-(cyclohexadec-8-en-1-ylamino)ethyl]ethane-1,2-diamine is sourced from PubChem (CID 54366985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).