N'-[2-[2-[2-aminoethyl(tert-butyl)amino]ethylamino]ethyl]ethane-1,2-diamine

C12H31N5 — CID 59825307

IUPACN'-[2-[2-[2-aminoethyl(tert-butyl)amino]ethylamino]ethyl]ethane-1,2-diamine
SMILESCC(C)(C)N(CCN)CCNCCNCCN
InChIInChI=1S/C12H31N5/c1-12(2,3)17(10-5-14)11-9-16-8-7-15-6-4-13/h15-16H,4-11,13-14H2,1-3H3
InChIKeyAZMRKBJRSCVZKM-UHFFFAOYSA-N
MW245.41 g/mol
LogP-0.82
Rot. Bonds10

About N'-[2-[2-[2-aminoethyl(tert-butyl)amino]ethylamino]ethyl]ethane-1,2-diamine

N'-[2-[2-[2-aminoethyl(tert-butyl)amino]ethylamino]ethyl]ethane-1,2-diamine (PubChem CID 59825307) has the molecular formula C12H31N5 and a molecular weight of 245.41 g/mol. Its IUPAC name is N'-[2-[2-[2-aminoethyl(tert-butyl)amino]ethylamino]ethyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[2-[2-[2-aminoethyl(tert-butyl)amino]ethylamino]ethyl]ethane-1,2-diamine
PubChem CID59825307
Molecular FormulaC12H31N5
Molecular Weight245.41 g/mol
Exact Mass245.26
IUPAC NameN'-[2-[2-[2-aminoethyl(tert-butyl)amino]ethylamino]ethyl]ethane-1,2-diamine
SMILESCC(C)(C)N(CCN)CCNCCNCCN
InChIInChI=1S/C12H31N5/c1-12(2,3)17(10-5-14)11-9-16-8-7-15-6-4-13/h15-16H,4-11,13-14H2,1-3H3
InChIKeyAZMRKBJRSCVZKM-UHFFFAOYSA-N
XLogP-0.82
TPSA79.34 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.41
LogP ≤ 5-0.82
H-Bond Donors ≤ 54
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'-[2-[2-[2-aminoethyl(tert-butyl)amino]ethylamino]ethyl]ethane-1,2-diamine?
The IUPAC name of N'-[2-[2-[2-aminoethyl(tert-butyl)amino]ethylamino]ethyl]ethane-1,2-diamine (CID 59825307) is N'-[2-[2-[2-aminoethyl(tert-butyl)amino]ethylamino]ethyl]ethane-1,2-diamine.
What is the SMILES notation for N'-[2-[2-[2-aminoethyl(tert-butyl)amino]ethylamino]ethyl]ethane-1,2-diamine?
The canonical SMILES for N'-[2-[2-[2-aminoethyl(tert-butyl)amino]ethylamino]ethyl]ethane-1,2-diamine is CC(C)(C)N(CCN)CCNCCNCCN.
What is the InChIKey of N'-[2-[2-[2-aminoethyl(tert-butyl)amino]ethylamino]ethyl]ethane-1,2-diamine?
The InChIKey is AZMRKBJRSCVZKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H31N5/c1-12(2,3)17(10-5-14)11-9-16-8-7-15-6-4-13/h15-16H,4-11,13-14H2,1-3H3.
What are the key properties of N'-[2-[2-[2-aminoethyl(tert-butyl)amino]ethylamino]ethyl]ethane-1,2-diamine?
N'-[2-[2-[2-aminoethyl(tert-butyl)amino]ethylamino]ethyl]ethane-1,2-diamine has a molecular weight of 245.41 g/mol, XLogP of -0.82, 10 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-[2-[2-aminoethyl(tert-butyl)amino]ethylamino]ethyl]ethane-1,2-diamine is sourced from PubChem (CID 59825307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).