N'-ethyl-N'-[1-(4-propan-2-ylphenyl)ethyl]ethane-1,2-diamine

C15H26N2 — CID 114231042

IUPACN'-ethyl-N'-[1-(4-propan-2-ylphenyl)ethyl]ethane-1,2-diamine
SMILESCCN(CCN)C(C)c1ccc(C(C)C)cc1
InChIInChI=1S/C15H26N2/c1-5-17(11-10-16)13(4)15-8-6-14(7-9-15)12(2)3/h6-9,12-13H,5,10-11,16H2,1-4H3
InChIKeyWQXVJLDBAYIUHD-UHFFFAOYSA-N
MW234.39 g/mol
LogP3.15
Rot. Bonds6

About N'-ethyl-N'-[1-(4-propan-2-ylphenyl)ethyl]ethane-1,2-diamine

N'-ethyl-N'-[1-(4-propan-2-ylphenyl)ethyl]ethane-1,2-diamine (PubChem CID 114231042) has the molecular formula C15H26N2 and a molecular weight of 234.39 g/mol. Its IUPAC name is N'-ethyl-N'-[1-(4-propan-2-ylphenyl)ethyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-ethyl-N'-[1-(4-propan-2-ylphenyl)ethyl]ethane-1,2-diamine
PubChem CID114231042
Molecular FormulaC15H26N2
Molecular Weight234.39 g/mol
Exact Mass234.21
IUPAC NameN'-ethyl-N'-[1-(4-propan-2-ylphenyl)ethyl]ethane-1,2-diamine
SMILESCCN(CCN)C(C)c1ccc(C(C)C)cc1
InChIInChI=1S/C15H26N2/c1-5-17(11-10-16)13(4)15-8-6-14(7-9-15)12(2)3/h6-9,12-13H,5,10-11,16H2,1-4H3
InChIKeyWQXVJLDBAYIUHD-UHFFFAOYSA-N
XLogP3.15
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.39
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N'-[1-(3-chlorophenyl)ethyl]-N'-ethylethane-1,2-diamine;dihydrochloride
CID 170305796
N'-[(1R)-1-(3-chlorophenyl)ethyl]-N'-ethylethane-1,2-diamine;hydrochloride
CID 176718534
N'-ethyl-N'-(4-propan-2-ylphenyl)ethane-1,2-diamine
CID 28772434
3-[ethyl-[1-(4-propan-2-ylphenyl)ethyl]amino]-2-methylpropanoic acid
CID 65060726
N'-[1-(3-bromo-2-chlorophenyl)ethyl]-N'-ethylethane-1,2-diamine
CID 170696011
N'-ethyl-N'-[1-(3-methylpyrazin-2-yl)ethyl]ethane-1,2-diamine
CID 66658115
2-[1-(4-aminophenyl)ethyl-ethylamino]acetamide
CID 103101327
N'-(1-phenylethyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 107494795
2-(diethylamino)-2-(4-propan-2-ylphenyl)acetamide
CID 112510339
N'-ethyl-N'-[1-[3-(tetrazol-1-yl)phenyl]ethyl]ethane-1,2-diamine
CID 66657935
N'-ethyl-N'-(3-methylbutan-2-yl)ethane-1,2-diamine
CID 126661238
2-[carboxymethyl-[1-(4-propan-2-ylphenyl)ethyl]amino]acetic acid
CID 65065744

Frequently Asked Questions

What is the IUPAC name of N'-ethyl-N'-[1-(4-propan-2-ylphenyl)ethyl]ethane-1,2-diamine?
The IUPAC name of N'-ethyl-N'-[1-(4-propan-2-ylphenyl)ethyl]ethane-1,2-diamine (CID 114231042) is N'-ethyl-N'-[1-(4-propan-2-ylphenyl)ethyl]ethane-1,2-diamine.
What is the SMILES notation for N'-ethyl-N'-[1-(4-propan-2-ylphenyl)ethyl]ethane-1,2-diamine?
The canonical SMILES for N'-ethyl-N'-[1-(4-propan-2-ylphenyl)ethyl]ethane-1,2-diamine is CCN(CCN)C(C)c1ccc(C(C)C)cc1.
What is the InChIKey of N'-ethyl-N'-[1-(4-propan-2-ylphenyl)ethyl]ethane-1,2-diamine?
The InChIKey is WQXVJLDBAYIUHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2/c1-5-17(11-10-16)13(4)15-8-6-14(7-9-15)12(2)3/h6-9,12-13H,5,10-11,16H2,1-4H3.
What are the key properties of N'-ethyl-N'-[1-(4-propan-2-ylphenyl)ethyl]ethane-1,2-diamine?
N'-ethyl-N'-[1-(4-propan-2-ylphenyl)ethyl]ethane-1,2-diamine has a molecular weight of 234.39 g/mol, XLogP of 3.15, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-N'-[1-(4-propan-2-ylphenyl)ethyl]ethane-1,2-diamine is sourced from PubChem (CID 114231042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).