2-[1-(3-tert-butyl-4-methylphenyl)propan-2-yl]propane-1,3-diamine

C17H30N2 — CID 83939168

IUPAC2-[1-(3-tert-butyl-4-methylphenyl)propan-2-yl]propane-1,3-diamine
SMILESCc1ccc(CC(C)C(CN)CN)cc1C(C)(C)C
InChIInChI=1S/C17H30N2/c1-12-6-7-14(9-16(12)17(3,4)5)8-13(2)15(10-18)11-19/h6-7,9,13,15H,8,10-11,18-19H2,1-5H3
InChIKeyZVWNUGIGGGJMQY-UHFFFAOYSA-N
MW262.44 g/mol
LogP3.00
Rot. Bonds5

About 2-[1-(3-tert-butyl-4-methylphenyl)propan-2-yl]propane-1,3-diamine

2-[1-(3-tert-butyl-4-methylphenyl)propan-2-yl]propane-1,3-diamine (PubChem CID 83939168) has the molecular formula C17H30N2 and a molecular weight of 262.44 g/mol. Its IUPAC name is 2-[1-(3-tert-butyl-4-methylphenyl)propan-2-yl]propane-1,3-diamine.

Molecular Properties

Compound Name2-[1-(3-tert-butyl-4-methylphenyl)propan-2-yl]propane-1,3-diamine
PubChem CID83939168
Molecular FormulaC17H30N2
Molecular Weight262.44 g/mol
Exact Mass262.24
IUPAC Name2-[1-(3-tert-butyl-4-methylphenyl)propan-2-yl]propane-1,3-diamine
SMILESCc1ccc(CC(C)C(CN)CN)cc1C(C)(C)C
InChIInChI=1S/C17H30N2/c1-12-6-7-14(9-16(12)17(3,4)5)8-13(2)15(10-18)11-19/h6-7,9,13,15H,8,10-11,18-19H2,1-5H3
InChIKeyZVWNUGIGGGJMQY-UHFFFAOYSA-N
XLogP3.00
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.44
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[4-amino-3-(aminomethyl)-2-methylbutyl]-2-methylphenol
CID 83922952
(3-tert-butyl-4-methylphenyl)methanamine
CID 59108911
2-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propan-2-yl]propane-1,3-diamine
CID 83931724
2-[1-(2,5-dimethylphenyl)propan-2-yl]propane-1,3-diamine
CID 83928106
2-[1-(3-tert-butyl-4-methylphenyl)propan-2-yl]-3-ethyloxirane
CID 83939257
1-amino-3-(3-tert-butyl-4-methoxyphenyl)propan-2-ol
CID 116859135
4-(3-tert-butyl-4-methylphenyl)butanenitrile
CID 83939219
2-tert-butyl-1-fluoro-4-(2-methylpropyl)benzene
CID 139403851
2-tert-butyl-4-(3-chloropropyl)-1-methylbenzene
CID 83939152
1-(3-tert-butyl-4-methylphenyl)heptane-3,4-diol
CID 83939274
3-tert-butyl-4-methylphenol
CID 13130216
1-amino-3-(5-tert-butyl-2-methylphenyl)propan-2-ol
CID 116859137

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-tert-butyl-4-methylphenyl)propan-2-yl]propane-1,3-diamine?
The IUPAC name of 2-[1-(3-tert-butyl-4-methylphenyl)propan-2-yl]propane-1,3-diamine (CID 83939168) is 2-[1-(3-tert-butyl-4-methylphenyl)propan-2-yl]propane-1,3-diamine.
What is the SMILES notation for 2-[1-(3-tert-butyl-4-methylphenyl)propan-2-yl]propane-1,3-diamine?
The canonical SMILES for 2-[1-(3-tert-butyl-4-methylphenyl)propan-2-yl]propane-1,3-diamine is Cc1ccc(CC(C)C(CN)CN)cc1C(C)(C)C.
What is the InChIKey of 2-[1-(3-tert-butyl-4-methylphenyl)propan-2-yl]propane-1,3-diamine?
The InChIKey is ZVWNUGIGGGJMQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2/c1-12-6-7-14(9-16(12)17(3,4)5)8-13(2)15(10-18)11-19/h6-7,9,13,15H,8,10-11,18-19H2,1-5H3.
What are the key properties of 2-[1-(3-tert-butyl-4-methylphenyl)propan-2-yl]propane-1,3-diamine?
2-[1-(3-tert-butyl-4-methylphenyl)propan-2-yl]propane-1,3-diamine has a molecular weight of 262.44 g/mol, XLogP of 3.00, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-tert-butyl-4-methylphenyl)propan-2-yl]propane-1,3-diamine is sourced from PubChem (CID 83939168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).