2-[2-(5-tert-butyl-2-ethylphenyl)ethyl]propane-1,3-diamine

C17H30N2 — CID 83927536

IUPAC2-[2-(5-tert-butyl-2-ethylphenyl)ethyl]propane-1,3-diamine
SMILESCCc1ccc(C(C)(C)C)cc1CCC(CN)CN
InChIInChI=1S/C17H30N2/c1-5-14-8-9-16(17(2,3)4)10-15(14)7-6-13(11-18)12-19/h8-10,13H,5-7,11-12,18-19H2,1-4H3
InChIKeyUDKFVSHZUDEIQC-UHFFFAOYSA-N
MW262.44 g/mol
LogP3.01
Rot. Bonds6

About 2-[2-(5-tert-butyl-2-ethylphenyl)ethyl]propane-1,3-diamine

2-[2-(5-tert-butyl-2-ethylphenyl)ethyl]propane-1,3-diamine (PubChem CID 83927536) has the molecular formula C17H30N2 and a molecular weight of 262.44 g/mol. Its IUPAC name is 2-[2-(5-tert-butyl-2-ethylphenyl)ethyl]propane-1,3-diamine.

Molecular Properties

Compound Name2-[2-(5-tert-butyl-2-ethylphenyl)ethyl]propane-1,3-diamine
PubChem CID83927536
Molecular FormulaC17H30N2
Molecular Weight262.44 g/mol
Exact Mass262.24
IUPAC Name2-[2-(5-tert-butyl-2-ethylphenyl)ethyl]propane-1,3-diamine
SMILESCCc1ccc(C(C)(C)C)cc1CCC(CN)CN
InChIInChI=1S/C17H30N2/c1-5-14-8-9-16(17(2,3)4)10-15(14)7-6-13(11-18)12-19/h8-10,13H,5-7,11-12,18-19H2,1-4H3
InChIKeyUDKFVSHZUDEIQC-UHFFFAOYSA-N
XLogP3.01
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.44
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-(5-tert-butyl-2-ethylphenyl)propyl]propane-1,3-diamine
CID 83927537
2-(3-bromopropyl)-4-tert-butyl-1-ethylbenzene
CID 83927526
4-tert-butyl-1-ethyl-2-pent-3-ynylbenzene
CID 83927593
2-(3,4-diethylphenyl)-2-methylpropan-1-ol
CID 117295283
N'-[(5-tert-butyl-2-methylphenyl)methyl]-2-ethylpropane-1,3-diamine
CID 115251439
ethyl 2-[4-tert-butyl-2-(2-ethoxy-2-oxoethyl)phenyl]acetate
CID 140674164
5-(5-tert-butyl-2-ethylphenyl)-4-methylpentan-2-one
CID 83927567
2-(4-bromobutan-2-yl)-4-tert-butyl-1-ethylbenzene
CID 83927529
1-amino-3-(4-tert-butyl-2-methylphenyl)propan-2-ol
CID 116859183
2-N-[2-(5-tert-butyl-2-methylphenyl)ethyl]-2-N-methylpropane-1,2-diamine
CID 117040108
3-[2-(aminomethyl)-5-tert-butylphenyl]-2-methylpropanal
CID 174771794
2-N-[(5-tert-butyl-2-methylphenyl)methyl]-2-N-methylpropane-1,2-diamine
CID 117039981

Frequently Asked Questions

What is the IUPAC name of 2-[2-(5-tert-butyl-2-ethylphenyl)ethyl]propane-1,3-diamine?
The IUPAC name of 2-[2-(5-tert-butyl-2-ethylphenyl)ethyl]propane-1,3-diamine (CID 83927536) is 2-[2-(5-tert-butyl-2-ethylphenyl)ethyl]propane-1,3-diamine.
What is the SMILES notation for 2-[2-(5-tert-butyl-2-ethylphenyl)ethyl]propane-1,3-diamine?
The canonical SMILES for 2-[2-(5-tert-butyl-2-ethylphenyl)ethyl]propane-1,3-diamine is CCc1ccc(C(C)(C)C)cc1CCC(CN)CN.
What is the InChIKey of 2-[2-(5-tert-butyl-2-ethylphenyl)ethyl]propane-1,3-diamine?
The InChIKey is UDKFVSHZUDEIQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2/c1-5-14-8-9-16(17(2,3)4)10-15(14)7-6-13(11-18)12-19/h8-10,13H,5-7,11-12,18-19H2,1-4H3.
What are the key properties of 2-[2-(5-tert-butyl-2-ethylphenyl)ethyl]propane-1,3-diamine?
2-[2-(5-tert-butyl-2-ethylphenyl)ethyl]propane-1,3-diamine has a molecular weight of 262.44 g/mol, XLogP of 3.01, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(5-tert-butyl-2-ethylphenyl)ethyl]propane-1,3-diamine is sourced from PubChem (CID 83927536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).