1-(4-tert-butylphenyl)-1-N,1-N,3-trimethylbutane-1,3-diamine

C17H30N2 — CID 116905015

IUPAC1-(4-tert-butylphenyl)-1-N,1-N,3-trimethylbutane-1,3-diamine
SMILESCN(C)C(CC(C)(C)N)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C17H30N2/c1-16(2,3)14-10-8-13(9-11-14)15(19(6)7)12-17(4,5)18/h8-11,15H,12,18H2,1-7H3
InChIKeyQYGROUJXECWFSR-UHFFFAOYSA-N
MW262.44 g/mol
LogP3.71
Rot. Bonds4

About 1-(4-tert-butylphenyl)-1-N,1-N,3-trimethylbutane-1,3-diamine

1-(4-tert-butylphenyl)-1-N,1-N,3-trimethylbutane-1,3-diamine (PubChem CID 116905015) has the molecular formula C17H30N2 and a molecular weight of 262.44 g/mol. Its IUPAC name is 1-(4-tert-butylphenyl)-1-N,1-N,3-trimethylbutane-1,3-diamine.

Molecular Properties

Compound Name1-(4-tert-butylphenyl)-1-N,1-N,3-trimethylbutane-1,3-diamine
PubChem CID116905015
Molecular FormulaC17H30N2
Molecular Weight262.44 g/mol
Exact Mass262.24
IUPAC Name1-(4-tert-butylphenyl)-1-N,1-N,3-trimethylbutane-1,3-diamine
SMILESCN(C)C(CC(C)(C)N)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C17H30N2/c1-16(2,3)14-10-8-13(9-11-14)15(19(6)7)12-17(4,5)18/h8-11,15H,12,18H2,1-7H3
InChIKeyQYGROUJXECWFSR-UHFFFAOYSA-N
XLogP3.71
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 ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,4-dimethylphenyl)-1-N,1-N,3-trimethylbutane-1,3-diamine
CID 116905016
1-(4-tert-butylphenyl)-N,N,3-trimethylbutane-1,4-diamine
CID 116905440
1-(4-tert-butylphenyl)-N'-ethyl-N,N-dimethylethane-1,2-diamine
CID 116905850
1-N,1-N,3-trimethyl-1-pyridin-3-ylbutane-1,3-diamine
CID 116905090
1-(3H-benzimidazol-5-yl)-1-N,1-N,3-trimethylbutane-1,3-diamine
CID 116905075
1-(4-tert-butylphenyl)-N,N-diethylethane-1,2-diamine
CID 16642736
1-(4-methoxyphenyl)-N,N,3,3-tetramethylbutan-1-amine
CID 58442303
(4-tert-butylphenyl)-(dimethylamino)methanol
CID 116909511
1-N,1-N,3-trimethyl-1-(2,3,5,6-tetramethylphenyl)butane-1,3-diamine
CID 116905046
4-tert-butyl-N-[2-(dimethylamino)-2-phenylethyl]benzamide
CID 45001444
1-N,1-N,4-trimethyl-1-(4-methylsulfanylphenyl)pentane-1,4-diamine
CID 116905819
[1-(4-tert-butylphenyl)-3,3-dimethylbutyl]hydrazine
CID 105220487

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylphenyl)-1-N,1-N,3-trimethylbutane-1,3-diamine?
The IUPAC name of 1-(4-tert-butylphenyl)-1-N,1-N,3-trimethylbutane-1,3-diamine (CID 116905015) is 1-(4-tert-butylphenyl)-1-N,1-N,3-trimethylbutane-1,3-diamine.
What is the SMILES notation for 1-(4-tert-butylphenyl)-1-N,1-N,3-trimethylbutane-1,3-diamine?
The canonical SMILES for 1-(4-tert-butylphenyl)-1-N,1-N,3-trimethylbutane-1,3-diamine is CN(C)C(CC(C)(C)N)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of 1-(4-tert-butylphenyl)-1-N,1-N,3-trimethylbutane-1,3-diamine?
The InChIKey is QYGROUJXECWFSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2/c1-16(2,3)14-10-8-13(9-11-14)15(19(6)7)12-17(4,5)18/h8-11,15H,12,18H2,1-7H3.
What are the key properties of 1-(4-tert-butylphenyl)-1-N,1-N,3-trimethylbutane-1,3-diamine?
1-(4-tert-butylphenyl)-1-N,1-N,3-trimethylbutane-1,3-diamine has a molecular weight of 262.44 g/mol, XLogP of 3.71, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylphenyl)-1-N,1-N,3-trimethylbutane-1,3-diamine is sourced from PubChem (CID 116905015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).