2-(4-tert-butyl-2-methylphenyl)-N,N-dimethylbutane-1,4-diamine

C17H30N2 — CID 112517060

IUPAC2-(4-tert-butyl-2-methylphenyl)-N,N-dimethylbutane-1,4-diamine
SMILESCc1cc(C(C)(C)C)ccc1C(CCN)CN(C)C
InChIInChI=1S/C17H30N2/c1-13-11-15(17(2,3)4)7-8-16(13)14(9-10-18)12-19(5)6/h7-8,11,14H,9-10,12,18H2,1-6H3
InChIKeyXKIQUJQGERVKFD-UHFFFAOYSA-N
MW262.44 g/mol
LogP3.29
Rot. Bonds5

About 2-(4-tert-butyl-2-methylphenyl)-N,N-dimethylbutane-1,4-diamine

2-(4-tert-butyl-2-methylphenyl)-N,N-dimethylbutane-1,4-diamine (PubChem CID 112517060) has the molecular formula C17H30N2 and a molecular weight of 262.44 g/mol. Its IUPAC name is 2-(4-tert-butyl-2-methylphenyl)-N,N-dimethylbutane-1,4-diamine.

Molecular Properties

Compound Name2-(4-tert-butyl-2-methylphenyl)-N,N-dimethylbutane-1,4-diamine
PubChem CID112517060
Molecular FormulaC17H30N2
Molecular Weight262.44 g/mol
Exact Mass262.24
IUPAC Name2-(4-tert-butyl-2-methylphenyl)-N,N-dimethylbutane-1,4-diamine
SMILESCc1cc(C(C)(C)C)ccc1C(CCN)CN(C)C
InChIInChI=1S/C17H30N2/c1-13-11-15(17(2,3)4)7-8-16(13)14(9-10-18)12-19(5)6/h7-8,11,14H,9-10,12,18H2,1-6H3
InChIKeyXKIQUJQGERVKFD-UHFFFAOYSA-N
XLogP3.29
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.44
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-tert-butylphenyl)-N,N-dimethylbutane-1,4-diamine
CID 112516072
1-(4-tert-butyl-2-methylphenyl)-N,N-dimethylethane-1,2-diamine
CID 82496475
N-(5-tert-butyl-2-methylphenyl)-N,2-dimethylbutane-1,4-diamine
CID 115202418
3-amino-1-(5-tert-butyl-2-methylphenyl)propan-1-ol
CID 82048901
2-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-N,N-dimethylbutane-1,4-diamine
CID 112516291
4-(5-tert-butyl-2-methylphenyl)-3-methylpentan-1-amine
CID 83935321
1-(4-tert-butyl-2-methylphenyl)-2-chloroethanamine
CID 116937590
2-(5-tert-butyl-2-methylphenyl)-3-(dimethylamino)propanenitrile
CID 82085599
2-[amino-(4-tert-butyl-2-methylphenyl)methyl]butanoic acid
CID 116945103
3-N-[(5-tert-butyl-2-methylphenyl)methyl]-3-N-methylpropane-1,2,3-triamine
CID 115119824
1-(5-tert-butyl-2-methylphenyl)-N,N,2-trimethylpropane-1,3-diamine
CID 116904659
2-(4-tert-butylphenyl)-3-(dimethylamino)propan-1-ol
CID 59446202

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butyl-2-methylphenyl)-N,N-dimethylbutane-1,4-diamine?
The IUPAC name of 2-(4-tert-butyl-2-methylphenyl)-N,N-dimethylbutane-1,4-diamine (CID 112517060) is 2-(4-tert-butyl-2-methylphenyl)-N,N-dimethylbutane-1,4-diamine.
What is the SMILES notation for 2-(4-tert-butyl-2-methylphenyl)-N,N-dimethylbutane-1,4-diamine?
The canonical SMILES for 2-(4-tert-butyl-2-methylphenyl)-N,N-dimethylbutane-1,4-diamine is Cc1cc(C(C)(C)C)ccc1C(CCN)CN(C)C.
What is the InChIKey of 2-(4-tert-butyl-2-methylphenyl)-N,N-dimethylbutane-1,4-diamine?
The InChIKey is XKIQUJQGERVKFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2/c1-13-11-15(17(2,3)4)7-8-16(13)14(9-10-18)12-19(5)6/h7-8,11,14H,9-10,12,18H2,1-6H3.
What are the key properties of 2-(4-tert-butyl-2-methylphenyl)-N,N-dimethylbutane-1,4-diamine?
2-(4-tert-butyl-2-methylphenyl)-N,N-dimethylbutane-1,4-diamine has a molecular weight of 262.44 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butyl-2-methylphenyl)-N,N-dimethylbutane-1,4-diamine is sourced from PubChem (CID 112517060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).