1-(4-tert-butyl-2,6-dimethylphenyl)-N'-propan-2-ylethane-1,2-diamine

C17H30N2 — CID 116935061

IUPAC1-(4-tert-butyl-2,6-dimethylphenyl)-N'-propan-2-ylethane-1,2-diamine
SMILESCc1cc(C(C)(C)C)cc(C)c1C(N)CNC(C)C
InChIInChI=1S/C17H30N2/c1-11(2)19-10-15(18)16-12(3)8-14(9-13(16)4)17(5,6)7/h8-9,11,15,19H,10,18H2,1-7H3
InChIKeyWLGYDCQDIGNOQP-UHFFFAOYSA-N
MW262.44 g/mol
LogP3.60
Rot. Bonds4

About 1-(4-tert-butyl-2,6-dimethylphenyl)-N'-propan-2-ylethane-1,2-diamine

1-(4-tert-butyl-2,6-dimethylphenyl)-N'-propan-2-ylethane-1,2-diamine (PubChem CID 116935061) has the molecular formula C17H30N2 and a molecular weight of 262.44 g/mol. Its IUPAC name is 1-(4-tert-butyl-2,6-dimethylphenyl)-N'-propan-2-ylethane-1,2-diamine.

Molecular Properties

Compound Name1-(4-tert-butyl-2,6-dimethylphenyl)-N'-propan-2-ylethane-1,2-diamine
PubChem CID116935061
Molecular FormulaC17H30N2
Molecular Weight262.44 g/mol
Exact Mass262.24
IUPAC Name1-(4-tert-butyl-2,6-dimethylphenyl)-N'-propan-2-ylethane-1,2-diamine
SMILESCc1cc(C(C)(C)C)cc(C)c1C(N)CNC(C)C
InChIInChI=1S/C17H30N2/c1-11(2)19-10-15(18)16-12(3)8-14(9-13(16)4)17(5,6)7/h8-9,11,15,19H,10,18H2,1-7H3
InChIKeyWLGYDCQDIGNOQP-UHFFFAOYSA-N
XLogP3.60
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.44
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N'-propan-2-yl-1-(2,3,5,6-tetramethylphenyl)ethane-1,2-diamine
CID 116935034
3-amino-3-(4-tert-butyl-2,6-dimethylphenyl)propane-1-thiol
CID 116831260
N'-[2-amino-2-(2,4,6-trimethylphenyl)ethyl]-1-(2,4,6-trimethylphenyl)ethane-1,2-diamine
CID 66808820
2-amino-1-(4-tert-butyl-2,6-dimethylphenyl)-3-methylbutan-1-ol
CID 82303464
1-(5-chloro-4-methoxy-2-methylphenyl)-N'-propan-2-ylethane-1,2-diamine
CID 116935046
1-(5-chloro-2-methoxy-4-methylphenyl)-N'-propan-2-ylethane-1,2-diamine
CID 116935045
1-N-(4-tert-butyl-2-methylphenyl)propane-1,2-diamine
CID 115196315
1-(4-ethoxy-3-methylphenyl)-N'-propan-2-ylethane-1,2-diamine
CID 116935047
1-(4-tert-butyl-2,6-dimethylphenyl)-3-methylbutan-2-amine
CID 60818626
[1-(aminomethyl)cyclopropyl]-(4-tert-butyl-2,6-dimethylphenyl)methanamine
CID 116943405
1-(4-tert-butyl-2,6-dimethylphenyl)-2-(methylamino)propan-1-ol
CID 82297228
3-amino-2-(4-tert-butyl-2,6-dimethylphenyl)propan-1-ol
CID 82291424

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butyl-2,6-dimethylphenyl)-N'-propan-2-ylethane-1,2-diamine?
The IUPAC name of 1-(4-tert-butyl-2,6-dimethylphenyl)-N'-propan-2-ylethane-1,2-diamine (CID 116935061) is 1-(4-tert-butyl-2,6-dimethylphenyl)-N'-propan-2-ylethane-1,2-diamine.
What is the SMILES notation for 1-(4-tert-butyl-2,6-dimethylphenyl)-N'-propan-2-ylethane-1,2-diamine?
The canonical SMILES for 1-(4-tert-butyl-2,6-dimethylphenyl)-N'-propan-2-ylethane-1,2-diamine is Cc1cc(C(C)(C)C)cc(C)c1C(N)CNC(C)C.
What is the InChIKey of 1-(4-tert-butyl-2,6-dimethylphenyl)-N'-propan-2-ylethane-1,2-diamine?
The InChIKey is WLGYDCQDIGNOQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2/c1-11(2)19-10-15(18)16-12(3)8-14(9-13(16)4)17(5,6)7/h8-9,11,15,19H,10,18H2,1-7H3.
What are the key properties of 1-(4-tert-butyl-2,6-dimethylphenyl)-N'-propan-2-ylethane-1,2-diamine?
1-(4-tert-butyl-2,6-dimethylphenyl)-N'-propan-2-ylethane-1,2-diamine has a molecular weight of 262.44 g/mol, XLogP of 3.60, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butyl-2,6-dimethylphenyl)-N'-propan-2-ylethane-1,2-diamine is sourced from PubChem (CID 116935061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).