1-N,1-N,3-trimethyl-1-(2,3,5,6-tetramethylphenyl)butane-1,3-diamine

C17H30N2 — CID 116905046

IUPAC1-N,1-N,3-trimethyl-1-(2,3,5,6-tetramethylphenyl)butane-1,3-diamine
SMILESCc1cc(C)c(C)c(C(CC(C)(C)N)N(C)C)c1C
InChIInChI=1S/C17H30N2/c1-11-9-12(2)14(4)16(13(11)3)15(19(7)8)10-17(5,6)18/h9,15H,10,18H2,1-8H3
InChIKeyFCQSQWOCKHRSTQ-UHFFFAOYSA-N
MW262.44 g/mol
LogP3.65
Rot. Bonds4

About 1-N,1-N,3-trimethyl-1-(2,3,5,6-tetramethylphenyl)butane-1,3-diamine

1-N,1-N,3-trimethyl-1-(2,3,5,6-tetramethylphenyl)butane-1,3-diamine (PubChem CID 116905046) has the molecular formula C17H30N2 and a molecular weight of 262.44 g/mol. Its IUPAC name is 1-N,1-N,3-trimethyl-1-(2,3,5,6-tetramethylphenyl)butane-1,3-diamine.

Molecular Properties

Compound Name1-N,1-N,3-trimethyl-1-(2,3,5,6-tetramethylphenyl)butane-1,3-diamine
PubChem CID116905046
Molecular FormulaC17H30N2
Molecular Weight262.44 g/mol
Exact Mass262.24
IUPAC Name1-N,1-N,3-trimethyl-1-(2,3,5,6-tetramethylphenyl)butane-1,3-diamine
SMILESCc1cc(C)c(C)c(C(CC(C)(C)N)N(C)C)c1C
InChIInChI=1S/C17H30N2/c1-11-9-12(2)14(4)16(13(11)3)15(19(7)8)10-17(5,6)18/h9,15H,10,18H2,1-8H3
InChIKeyFCQSQWOCKHRSTQ-UHFFFAOYSA-N
XLogP3.65
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 ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-dimethyl-1-(2,3,5,6-tetramethylphenyl)ethane-1,2-diamine
CID 82286430
1-N,3-dimethyl-1-(2,3,5,6-tetramethylphenyl)butane-1,3-diamine
CID 116949152
1-(3,4-dimethylphenyl)-1-N,1-N,3-trimethylbutane-1,3-diamine
CID 116905016
3-(dimethylamino)-3-(2,3,5,6-tetramethylphenyl)propane-1-thiol
CID 116908941
4-(dimethylamino)-4-(2,3,5,6-tetramethylphenyl)butan-1-ol
CID 116907780
4-(dimethylamino)-4-(2,3,5,6-tetramethylphenyl)butan-2-one
CID 116910513
1-hydrazinyl-N,N-dimethyl-1-(2,3,5,6-tetramethylphenyl)methanamine
CID 116914873
1-(4-tert-butylphenyl)-1-N,1-N,3-trimethylbutane-1,3-diamine
CID 116905015
1-N,1-N,3-trimethyl-1-pyridin-3-ylbutane-1,3-diamine
CID 116905090
1-(2-methoxy-3,4,6-trimethylphenyl)-1-N,1-N,2-trimethylpropane-1,2-diamine
CID 116904584
1-(2-methoxy-3,4,6-trimethylphenyl)-N,N-dimethylpropane-1,3-diamine
CID 116904598
4-amino-2,2-dimethyl-4-(2,3,5,6-tetramethylphenyl)butanoic acid
CID 65298192

Frequently Asked Questions

What is the IUPAC name of 1-N,1-N,3-trimethyl-1-(2,3,5,6-tetramethylphenyl)butane-1,3-diamine?
The IUPAC name of 1-N,1-N,3-trimethyl-1-(2,3,5,6-tetramethylphenyl)butane-1,3-diamine (CID 116905046) is 1-N,1-N,3-trimethyl-1-(2,3,5,6-tetramethylphenyl)butane-1,3-diamine.
What is the SMILES notation for 1-N,1-N,3-trimethyl-1-(2,3,5,6-tetramethylphenyl)butane-1,3-diamine?
The canonical SMILES for 1-N,1-N,3-trimethyl-1-(2,3,5,6-tetramethylphenyl)butane-1,3-diamine is Cc1cc(C)c(C)c(C(CC(C)(C)N)N(C)C)c1C.
What is the InChIKey of 1-N,1-N,3-trimethyl-1-(2,3,5,6-tetramethylphenyl)butane-1,3-diamine?
The InChIKey is FCQSQWOCKHRSTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2/c1-11-9-12(2)14(4)16(13(11)3)15(19(7)8)10-17(5,6)18/h9,15H,10,18H2,1-8H3.
What are the key properties of 1-N,1-N,3-trimethyl-1-(2,3,5,6-tetramethylphenyl)butane-1,3-diamine?
1-N,1-N,3-trimethyl-1-(2,3,5,6-tetramethylphenyl)butane-1,3-diamine has a molecular weight of 262.44 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N,3-trimethyl-1-(2,3,5,6-tetramethylphenyl)butane-1,3-diamine is sourced from PubChem (CID 116905046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).