N'-[2-(4-tert-butylphenyl)ethyl]ethane-1,2-diamine

C14H24N2 — CID 115195374

IUPACN'-[2-(4-tert-butylphenyl)ethyl]ethane-1,2-diamine
SMILESCC(C)(C)c1ccc(CCNCCN)cc1
InChIInChI=1S/C14H24N2/c1-14(2,3)13-6-4-12(5-7-13)8-10-16-11-9-15/h4-7,16H,8-11,15H2,1-3H3
InChIKeyDHDFDNPNWBWPAC-UHFFFAOYSA-N
MW220.36 g/mol
LogP2.07
Rot. Bonds5

About N'-[2-(4-tert-butylphenyl)ethyl]ethane-1,2-diamine

N'-[2-(4-tert-butylphenyl)ethyl]ethane-1,2-diamine (PubChem CID 115195374) has the molecular formula C14H24N2 and a molecular weight of 220.36 g/mol. Its IUPAC name is N'-[2-(4-tert-butylphenyl)ethyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[2-(4-tert-butylphenyl)ethyl]ethane-1,2-diamine
PubChem CID115195374
Molecular FormulaC14H24N2
Molecular Weight220.36 g/mol
Exact Mass220.19
IUPAC NameN'-[2-(4-tert-butylphenyl)ethyl]ethane-1,2-diamine
SMILESCC(C)(C)c1ccc(CCNCCN)cc1
InChIInChI=1S/C14H24N2/c1-14(2,3)13-6-4-12(5-7-13)8-10-16-11-9-15/h4-7,16H,8-11,15H2,1-3H3
InChIKeyDHDFDNPNWBWPAC-UHFFFAOYSA-N
XLogP2.07
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N'-[2-(4-tert-butylphenyl)ethyl]methanediamine
CID 115225996
N'-[2-(4-tert-butylphenyl)ethyl]-N-methylmethanediamine
CID 115227117
4-[2-(4-tert-butylphenyl)ethylamino]butanenitrile
CID 115231882
3-N-[2-(4-tert-butylphenyl)ethyl]propane-1,2,3-triamine
CID 115119935
4-[2-(4-tert-butylphenyl)ethylamino]-2,2-dimethylbutanoic acid
CID 122127415
3-(4-tert-butylphenyl)-N-propylpropan-1-amine
CID 62528827
N'-[3-[1,5-bis(4-tert-butylphenyl)pentan-3-ylamino]propyl]propane-1,3-diamine;hydrochloride
CID 90674856
N'-[3-[1,7-bis(4-tert-butylphenyl)heptan-4-ylamino]propyl]propane-1,3-diamine
CID 90674858
N'-[2-methyl-2-(4-propylphenyl)propyl]ethane-1,2-diamine
CID 115195580
N-[2-(4-tert-butylphenyl)ethyl]hydroxylamine
CID 142885264
N'-[2-(3-tert-butyl-4-methoxyphenyl)ethyl]ethane-1,2-diamine
CID 115195388
N'-[2-(4-methylsulfonylphenyl)ethyl]ethane-1,2-diamine
CID 115195453

Frequently Asked Questions

What is the IUPAC name of N'-[2-(4-tert-butylphenyl)ethyl]ethane-1,2-diamine?
The IUPAC name of N'-[2-(4-tert-butylphenyl)ethyl]ethane-1,2-diamine (CID 115195374) is N'-[2-(4-tert-butylphenyl)ethyl]ethane-1,2-diamine.
What is the SMILES notation for N'-[2-(4-tert-butylphenyl)ethyl]ethane-1,2-diamine?
The canonical SMILES for N'-[2-(4-tert-butylphenyl)ethyl]ethane-1,2-diamine is CC(C)(C)c1ccc(CCNCCN)cc1.
What is the InChIKey of N'-[2-(4-tert-butylphenyl)ethyl]ethane-1,2-diamine?
The InChIKey is DHDFDNPNWBWPAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2/c1-14(2,3)13-6-4-12(5-7-13)8-10-16-11-9-15/h4-7,16H,8-11,15H2,1-3H3.
What are the key properties of N'-[2-(4-tert-butylphenyl)ethyl]ethane-1,2-diamine?
N'-[2-(4-tert-butylphenyl)ethyl]ethane-1,2-diamine has a molecular weight of 220.36 g/mol, XLogP of 2.07, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(4-tert-butylphenyl)ethyl]ethane-1,2-diamine is sourced from PubChem (CID 115195374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).