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

C17H30N2 — CID 116905440

IUPAC1-(4-tert-butylphenyl)-N,N,3-trimethylbutane-1,4-diamine
SMILESCC(CN)CC(c1ccc(C(C)(C)C)cc1)N(C)C
InChIInChI=1S/C17H30N2/c1-13(12-18)11-16(19(5)6)14-7-9-15(10-8-14)17(2,3)4/h7-10,13,16H,11-12,18H2,1-6H3
InChIKeyOCXFQVSCJJFMKM-UHFFFAOYSA-N
MW262.44 g/mol
LogP3.57
Rot. Bonds5

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

1-(4-tert-butylphenyl)-N,N,3-trimethylbutane-1,4-diamine (PubChem CID 116905440) has the molecular formula C17H30N2 and a molecular weight of 262.44 g/mol. Its IUPAC name is 1-(4-tert-butylphenyl)-N,N,3-trimethylbutane-1,4-diamine.

Molecular Properties

Compound Name1-(4-tert-butylphenyl)-N,N,3-trimethylbutane-1,4-diamine
PubChem CID116905440
Molecular FormulaC17H30N2
Molecular Weight262.44 g/mol
Exact Mass262.24
IUPAC Name1-(4-tert-butylphenyl)-N,N,3-trimethylbutane-1,4-diamine
SMILESCC(CN)CC(c1ccc(C(C)(C)C)cc1)N(C)C
InChIInChI=1S/C17H30N2/c1-13(12-18)11-16(19(5)6)14-7-9-15(10-8-14)17(2,3)4/h7-10,13,16H,11-12,18H2,1-6H3
InChIKeyOCXFQVSCJJFMKM-UHFFFAOYSA-N
XLogP3.57
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 ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-ethoxyphenyl)-N,N,3-trimethylbutane-1,4-diamine
CID 116905470
1-(4-tert-butylphenyl)-1-N,1-N,3-trimethylbutane-1,3-diamine
CID 116905015
N,N,3-trimethyl-1-(3-methylphenyl)butane-1,4-diamine
CID 116905510
N,N,3-trimethyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)butane-1,4-diamine
CID 116905443
1-(4-tert-butylphenyl)-N,N-diethylethane-1,2-diamine
CID 16642736
1-(2,3-dihydro-1-benzofuran-5-yl)-N,N,3-trimethylbutane-1,4-diamine
CID 116905506
1-(4-tert-butylphenyl)-N'-ethyl-N,N-dimethylethane-1,2-diamine
CID 116905850
1-(4-tert-butyl-2-methylphenyl)-N,N-dimethylethane-1,2-diamine
CID 82496475
1-(4-tert-butylphenyl)-N-(1-cyclopropylethyl)-N-methylethane-1,2-diamine
CID 43568912
1-(2-bromophenyl)-N,N,3-trimethylbutane-1,4-diamine
CID 116905528
N,N,3-trimethyl-1-(2,4,6-trimethylphenyl)butane-1,4-diamine
CID 116905466
N-butyl-1-(4-tert-butylphenyl)-N-ethylethane-1,2-diamine
CID 43079217

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylphenyl)-N,N,3-trimethylbutane-1,4-diamine?
The IUPAC name of 1-(4-tert-butylphenyl)-N,N,3-trimethylbutane-1,4-diamine (CID 116905440) is 1-(4-tert-butylphenyl)-N,N,3-trimethylbutane-1,4-diamine.
What is the SMILES notation for 1-(4-tert-butylphenyl)-N,N,3-trimethylbutane-1,4-diamine?
The canonical SMILES for 1-(4-tert-butylphenyl)-N,N,3-trimethylbutane-1,4-diamine is CC(CN)CC(c1ccc(C(C)(C)C)cc1)N(C)C.
What is the InChIKey of 1-(4-tert-butylphenyl)-N,N,3-trimethylbutane-1,4-diamine?
The InChIKey is OCXFQVSCJJFMKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2/c1-13(12-18)11-16(19(5)6)14-7-9-15(10-8-14)17(2,3)4/h7-10,13,16H,11-12,18H2,1-6H3.
What are the key properties of 1-(4-tert-butylphenyl)-N,N,3-trimethylbutane-1,4-diamine?
1-(4-tert-butylphenyl)-N,N,3-trimethylbutane-1,4-diamine has a molecular weight of 262.44 g/mol, XLogP of 3.57, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylphenyl)-N,N,3-trimethylbutane-1,4-diamine is sourced from PubChem (CID 116905440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).