1-N,1-N-diethyl-4-(2,4,6-trimethylphenyl)butane-1,3-diamine

C17H30N2 — CID 79086831

IUPAC1-N,1-N-diethyl-4-(2,4,6-trimethylphenyl)butane-1,3-diamine
SMILESCCN(CC)CCC(N)Cc1c(C)cc(C)cc1C
InChIInChI=1S/C17H30N2/c1-6-19(7-2)9-8-16(18)12-17-14(4)10-13(3)11-15(17)5/h10-11,16H,6-9,12,18H2,1-5H3
InChIKeyRQMTZLCKVQAATA-UHFFFAOYSA-N
MW262.44 g/mol
LogP3.21
Rot. Bonds7

About 1-N,1-N-diethyl-4-(2,4,6-trimethylphenyl)butane-1,3-diamine

1-N,1-N-diethyl-4-(2,4,6-trimethylphenyl)butane-1,3-diamine (PubChem CID 79086831) has the molecular formula C17H30N2 and a molecular weight of 262.44 g/mol. Its IUPAC name is 1-N,1-N-diethyl-4-(2,4,6-trimethylphenyl)butane-1,3-diamine.

Molecular Properties

Compound Name1-N,1-N-diethyl-4-(2,4,6-trimethylphenyl)butane-1,3-diamine
PubChem CID79086831
Molecular FormulaC17H30N2
Molecular Weight262.44 g/mol
Exact Mass262.24
IUPAC Name1-N,1-N-diethyl-4-(2,4,6-trimethylphenyl)butane-1,3-diamine
SMILESCCN(CC)CCC(N)Cc1c(C)cc(C)cc1C
InChIInChI=1S/C17H30N2/c1-6-19(7-2)9-8-16(18)12-17-14(4)10-13(3)11-15(17)5/h10-11,16H,6-9,12,18H2,1-5H3
InChIKeyRQMTZLCKVQAATA-UHFFFAOYSA-N
XLogP3.21
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.44
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-N,1-N-diethyl-4-(2,4,6-trimethylphenyl)butane-1,3-diamine?
The IUPAC name of 1-N,1-N-diethyl-4-(2,4,6-trimethylphenyl)butane-1,3-diamine (CID 79086831) is 1-N,1-N-diethyl-4-(2,4,6-trimethylphenyl)butane-1,3-diamine.
What is the SMILES notation for 1-N,1-N-diethyl-4-(2,4,6-trimethylphenyl)butane-1,3-diamine?
The canonical SMILES for 1-N,1-N-diethyl-4-(2,4,6-trimethylphenyl)butane-1,3-diamine is CCN(CC)CCC(N)Cc1c(C)cc(C)cc1C.
What is the InChIKey of 1-N,1-N-diethyl-4-(2,4,6-trimethylphenyl)butane-1,3-diamine?
The InChIKey is RQMTZLCKVQAATA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2/c1-6-19(7-2)9-8-16(18)12-17-14(4)10-13(3)11-15(17)5/h10-11,16H,6-9,12,18H2,1-5H3.
What are the key properties of 1-N,1-N-diethyl-4-(2,4,6-trimethylphenyl)butane-1,3-diamine?
1-N,1-N-diethyl-4-(2,4,6-trimethylphenyl)butane-1,3-diamine has a molecular weight of 262.44 g/mol, XLogP of 3.21, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N-diethyl-4-(2,4,6-trimethylphenyl)butane-1,3-diamine is sourced from PubChem (CID 79086831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).