N'-decyl-N'-[2-[2-(4-methylpiperazin-1-yl)ethylamino]ethyl]ethane-1,2-diamine

C21H47N5 — CID 59630651

IUPACN'-decyl-N'-[2-[2-(4-methylpiperazin-1-yl)ethylamino]ethyl]ethane-1,2-diamine
SMILESCCCCCCCCCCN(CCN)CCNCCN1CCN(C)CC1
InChIInChI=1S/C21H47N5/c1-3-4-5-6-7-8-9-10-14-25(15-11-22)16-12-23-13-17-26-20-18-24(2)19-21-26/h23H,3-22H2,1-2H3
InChIKeyFZSCCRMLJURUKM-UHFFFAOYSA-N
MW369.64 g/mol
LogP2.22
Rot. Bonds17

About N'-decyl-N'-[2-[2-(4-methylpiperazin-1-yl)ethylamino]ethyl]ethane-1,2-diamine

N'-decyl-N'-[2-[2-(4-methylpiperazin-1-yl)ethylamino]ethyl]ethane-1,2-diamine (PubChem CID 59630651) has the molecular formula C21H47N5 and a molecular weight of 369.64 g/mol. Its IUPAC name is N'-decyl-N'-[2-[2-(4-methylpiperazin-1-yl)ethylamino]ethyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-decyl-N'-[2-[2-(4-methylpiperazin-1-yl)ethylamino]ethyl]ethane-1,2-diamine
PubChem CID59630651
Molecular FormulaC21H47N5
Molecular Weight369.64 g/mol
Exact Mass369.38
IUPAC NameN'-decyl-N'-[2-[2-(4-methylpiperazin-1-yl)ethylamino]ethyl]ethane-1,2-diamine
SMILESCCCCCCCCCCN(CCN)CCNCCN1CCN(C)CC1
InChIInChI=1S/C21H47N5/c1-3-4-5-6-7-8-9-10-14-25(15-11-22)16-12-23-13-17-26-20-18-24(2)19-21-26/h23H,3-22H2,1-2H3
InChIKeyFZSCCRMLJURUKM-UHFFFAOYSA-N
XLogP2.22
TPSA47.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds17
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.64
LogP ≤ 52.22
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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Related Compounds

N'-dodecyl-N-[2-[4-[2-[dodecyl(ethyl)amino]ethyl]piperazin-1-yl]ethyl]-N'-undecylethane-1,2-diamine
CID 156799393
N'-butyl-N'-[2-(4-methylpiperazin-1-yl)ethyl]ethane-1,2-diamine
CID 82892276
N'-[2-(dioctadecylamino)ethyl]ethane-1,2-diamine
CID 19593405
N'-(2-aminoethyl)ethane-1,2-diamine;N,N-dioctyloctan-1-amine
CID 19864694
N'-hexadecyl-N-[2-[hexadecyl(octadecyl)amino]ethyl]-N'-octadecylethane-1,2-diamine
CID 21492340
N'-[2-[di(nonyl)amino]ethyl]octane-1,8-diamine
CID 142498918
N'-[2-[bis(2-aminoethyl)amino]ethyl]ethane-1,2-diamine;N'-(2-piperazin-1-ylethyl)ethane-1,2-diamine
CID 67423531
N-[2-[4-[2-[methyl(pentyl)amino]ethyl]piperazin-1-yl]ethyl]heptan-1-amine
CID 143882413
N'-(2-aminoethyl)-N'-hexylethane-1,2-diamine
CID 62923108
ethane;methanol;methyl 12-[2-[4-[2-[dodecyl-[2-(dodecylamino)ethyl]amino]ethyl]piperazin-1-yl]ethylamino]dodecanoate;hydrate
CID 142339167
N,N',N'-tridodecylethane-1,2-diamine
CID 166798413
N'-[2-(dibutylamino)ethyl]ethane-1,2-diamine
CID 54322779

Frequently Asked Questions

What is the IUPAC name of N'-decyl-N'-[2-[2-(4-methylpiperazin-1-yl)ethylamino]ethyl]ethane-1,2-diamine?
The IUPAC name of N'-decyl-N'-[2-[2-(4-methylpiperazin-1-yl)ethylamino]ethyl]ethane-1,2-diamine (CID 59630651) is N'-decyl-N'-[2-[2-(4-methylpiperazin-1-yl)ethylamino]ethyl]ethane-1,2-diamine.
What is the SMILES notation for N'-decyl-N'-[2-[2-(4-methylpiperazin-1-yl)ethylamino]ethyl]ethane-1,2-diamine?
The canonical SMILES for N'-decyl-N'-[2-[2-(4-methylpiperazin-1-yl)ethylamino]ethyl]ethane-1,2-diamine is CCCCCCCCCCN(CCN)CCNCCN1CCN(C)CC1.
What is the InChIKey of N'-decyl-N'-[2-[2-(4-methylpiperazin-1-yl)ethylamino]ethyl]ethane-1,2-diamine?
The InChIKey is FZSCCRMLJURUKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H47N5/c1-3-4-5-6-7-8-9-10-14-25(15-11-22)16-12-23-13-17-26-20-18-24(2)19-21-26/h23H,3-22H2,1-2H3.
What are the key properties of N'-decyl-N'-[2-[2-(4-methylpiperazin-1-yl)ethylamino]ethyl]ethane-1,2-diamine?
N'-decyl-N'-[2-[2-(4-methylpiperazin-1-yl)ethylamino]ethyl]ethane-1,2-diamine has a molecular weight of 369.64 g/mol, XLogP of 2.22, 17 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-decyl-N'-[2-[2-(4-methylpiperazin-1-yl)ethylamino]ethyl]ethane-1,2-diamine is sourced from PubChem (CID 59630651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).