N,N,2,2-tetramethyl-1-(2,4,6-trimethylphenyl)butane-1,4-diamine

C17H30N2 — CID 116905673

IUPACN,N,2,2-tetramethyl-1-(2,4,6-trimethylphenyl)butane-1,4-diamine
SMILESCc1cc(C)c(C(N(C)C)C(C)(C)CCN)c(C)c1
InChIInChI=1S/C17H30N2/c1-12-10-13(2)15(14(3)11-12)16(19(6)7)17(4,5)8-9-18/h10-11,16H,8-9,18H2,1-7H3
InChIKeyOONUTTLVLCXSDU-UHFFFAOYSA-N
MW262.44 g/mol
LogP3.59
Rot. Bonds5

About N,N,2,2-tetramethyl-1-(2,4,6-trimethylphenyl)butane-1,4-diamine

N,N,2,2-tetramethyl-1-(2,4,6-trimethylphenyl)butane-1,4-diamine (PubChem CID 116905673) has the molecular formula C17H30N2 and a molecular weight of 262.44 g/mol. Its IUPAC name is N,N,2,2-tetramethyl-1-(2,4,6-trimethylphenyl)butane-1,4-diamine.

Molecular Properties

Compound NameN,N,2,2-tetramethyl-1-(2,4,6-trimethylphenyl)butane-1,4-diamine
PubChem CID116905673
Molecular FormulaC17H30N2
Molecular Weight262.44 g/mol
Exact Mass262.24
IUPAC NameN,N,2,2-tetramethyl-1-(2,4,6-trimethylphenyl)butane-1,4-diamine
SMILESCc1cc(C)c(C(N(C)C)C(C)(C)CCN)c(C)c1
InChIInChI=1S/C17H30N2/c1-12-10-13(2)15(14(3)11-12)16(19(6)7)17(4,5)8-9-18/h10-11,16H,8-9,18H2,1-7H3
InChIKeyOONUTTLVLCXSDU-UHFFFAOYSA-N
XLogP3.59
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 ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(dimethylamino)-2-methyl-1-(2,4,6-trimethylphenyl)propan-2-ol
CID 116911328
3-N,3-dimethyl-3-N-(2,4,6-trimethylphenyl)butane-1,3-diamine
CID 115134562
N,2,2-trimethyl-1-(2,4,6-trimethylphenyl)propane-1,3-diamine
CID 116949010
1-(2,4-dimethylphenyl)-N,N,2,2-tetramethylpropane-1,3-diamine
CID 116904924
N,N,3-trimethyl-1-(2,4,6-trimethylphenyl)butane-1,4-diamine
CID 116905466
1-N,1-N-dimethyl-1-(2,4,6-trimethylphenyl)pentane-1,4-diamine
CID 116905573
(3S)-3-amino-2,2-dimethyl-3-(2,4,6-trimethylphenyl)propan-1-ol
CID 131408123
1-(2-methoxy-4,6-dimethylphenyl)-N,2,2-trimethylpropane-1,3-diamine
CID 116949052
N,N,2,2-tetramethyl-1-(3-methylphenyl)propane-1,3-diamine
CID 116904978
methyl 2-(dimethylamino)-2-(2,4,6-trimethylphenyl)acetate
CID 116857090
[(1S)-2,2,2-trifluoro-1-(2,4,6-trimethylphenyl)ethyl]hydrazine
CID 124633921
(1R)-1-(2,4,6-trimethylphenyl)ethane-1,2-diamine;hydrochloride
CID 66517545

Frequently Asked Questions

What is the IUPAC name of N,N,2,2-tetramethyl-1-(2,4,6-trimethylphenyl)butane-1,4-diamine?
The IUPAC name of N,N,2,2-tetramethyl-1-(2,4,6-trimethylphenyl)butane-1,4-diamine (CID 116905673) is N,N,2,2-tetramethyl-1-(2,4,6-trimethylphenyl)butane-1,4-diamine.
What is the SMILES notation for N,N,2,2-tetramethyl-1-(2,4,6-trimethylphenyl)butane-1,4-diamine?
The canonical SMILES for N,N,2,2-tetramethyl-1-(2,4,6-trimethylphenyl)butane-1,4-diamine is Cc1cc(C)c(C(N(C)C)C(C)(C)CCN)c(C)c1.
What is the InChIKey of N,N,2,2-tetramethyl-1-(2,4,6-trimethylphenyl)butane-1,4-diamine?
The InChIKey is OONUTTLVLCXSDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2/c1-12-10-13(2)15(14(3)11-12)16(19(6)7)17(4,5)8-9-18/h10-11,16H,8-9,18H2,1-7H3.
What are the key properties of N,N,2,2-tetramethyl-1-(2,4,6-trimethylphenyl)butane-1,4-diamine?
N,N,2,2-tetramethyl-1-(2,4,6-trimethylphenyl)butane-1,4-diamine has a molecular weight of 262.44 g/mol, XLogP of 3.59, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,2,2-tetramethyl-1-(2,4,6-trimethylphenyl)butane-1,4-diamine is sourced from PubChem (CID 116905673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).