1-(5-tert-butyl-2-methylphenyl)-N,N,2-trimethylpropane-1,3-diamine

C17H30N2 — CID 116904659

IUPAC1-(5-tert-butyl-2-methylphenyl)-N,N,2-trimethylpropane-1,3-diamine
SMILESCc1ccc(C(C)(C)C)cc1C(C(C)CN)N(C)C
InChIInChI=1S/C17H30N2/c1-12-8-9-14(17(3,4)5)10-15(12)16(19(6)7)13(2)11-18/h8-10,13,16H,11,18H2,1-7H3
InChIKeyNQYXOGJXXAKXGS-UHFFFAOYSA-N
MW262.44 g/mol
LogP3.49
Rot. Bonds4

About 1-(5-tert-butyl-2-methylphenyl)-N,N,2-trimethylpropane-1,3-diamine

1-(5-tert-butyl-2-methylphenyl)-N,N,2-trimethylpropane-1,3-diamine (PubChem CID 116904659) has the molecular formula C17H30N2 and a molecular weight of 262.44 g/mol. Its IUPAC name is 1-(5-tert-butyl-2-methylphenyl)-N,N,2-trimethylpropane-1,3-diamine.

Molecular Properties

Compound Name1-(5-tert-butyl-2-methylphenyl)-N,N,2-trimethylpropane-1,3-diamine
PubChem CID116904659
Molecular FormulaC17H30N2
Molecular Weight262.44 g/mol
Exact Mass262.24
IUPAC Name1-(5-tert-butyl-2-methylphenyl)-N,N,2-trimethylpropane-1,3-diamine
SMILESCc1ccc(C(C)(C)C)cc1C(C(C)CN)N(C)C
InChIInChI=1S/C17H30N2/c1-12-8-9-14(17(3,4)5)10-15(12)16(19(6)7)13(2)11-18/h8-10,13,16H,11,18H2,1-7H3
InChIKeyNQYXOGJXXAKXGS-UHFFFAOYSA-N
XLogP3.49
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.44
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N,N,2-trimethyl-1-(2-methyl-5-propan-2-ylphenyl)propane-1,3-diamine
CID 116904701
N,N,2-trimethyl-1-(2-methylphenyl)propane-1,3-diamine
CID 116904730
1-(4-tert-butyl-2-methylphenyl)-N,N-dimethylethane-1,2-diamine
CID 82496475
4-(5-tert-butyl-2-methylphenyl)-3-methylpentan-1-amine
CID 83935321
1-(4-methoxy-2,5-dimethylphenyl)-N,N,2-trimethylpropane-1,3-diamine
CID 116904669
3-(5-tert-butyl-2-ethylphenyl)-3-(dimethylamino)-2-methylpropan-1-ol
CID 83927558
2-N-[(5-tert-butyl-2-methylphenyl)methyl]-2-N-methylpropane-1,2-diamine
CID 117039981
4-tert-butyl-2-(2-deuteriopropan-2-yl)-1-methylbenzene
CID 157217338
3-amino-1-(5-tert-butyl-2-methylphenyl)propan-1-ol
CID 82048901
2-N-[2-(5-tert-butyl-2-methylphenyl)ethyl]-2-N-methylpropane-1,2-diamine
CID 117040108
4-tert-butyl-2-(4-chlorobutan-2-yl)-1-methylbenzene
CID 82084225
2-(5-tert-butyl-2-methylphenyl)-3-methylbutan-1-ol
CID 82083216

Frequently Asked Questions

What is the IUPAC name of 1-(5-tert-butyl-2-methylphenyl)-N,N,2-trimethylpropane-1,3-diamine?
The IUPAC name of 1-(5-tert-butyl-2-methylphenyl)-N,N,2-trimethylpropane-1,3-diamine (CID 116904659) is 1-(5-tert-butyl-2-methylphenyl)-N,N,2-trimethylpropane-1,3-diamine.
What is the SMILES notation for 1-(5-tert-butyl-2-methylphenyl)-N,N,2-trimethylpropane-1,3-diamine?
The canonical SMILES for 1-(5-tert-butyl-2-methylphenyl)-N,N,2-trimethylpropane-1,3-diamine is Cc1ccc(C(C)(C)C)cc1C(C(C)CN)N(C)C.
What is the InChIKey of 1-(5-tert-butyl-2-methylphenyl)-N,N,2-trimethylpropane-1,3-diamine?
The InChIKey is NQYXOGJXXAKXGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2/c1-12-8-9-14(17(3,4)5)10-15(12)16(19(6)7)13(2)11-18/h8-10,13,16H,11,18H2,1-7H3.
What are the key properties of 1-(5-tert-butyl-2-methylphenyl)-N,N,2-trimethylpropane-1,3-diamine?
1-(5-tert-butyl-2-methylphenyl)-N,N,2-trimethylpropane-1,3-diamine has a molecular weight of 262.44 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-tert-butyl-2-methylphenyl)-N,N,2-trimethylpropane-1,3-diamine is sourced from PubChem (CID 116904659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).