1-N-(3,5-dimethylphenyl)-3-N-ethyl-1-N,2,2-trimethylbutane-1,3-diamine

C17H30N2 — CID 66453646

IUPAC1-N-(3,5-dimethylphenyl)-3-N-ethyl-1-N,2,2-trimethylbutane-1,3-diamine
SMILESCCNC(C)C(C)(C)CN(C)c1cc(C)cc(C)c1
InChIInChI=1S/C17H30N2/c1-8-18-15(4)17(5,6)12-19(7)16-10-13(2)9-14(3)11-16/h9-11,15,18H,8,12H2,1-7H3
InChIKeyOUQKYBFYRDGBBB-UHFFFAOYSA-N
MW262.44 g/mol
LogP3.76
Rot. Bonds6

About 1-N-(3,5-dimethylphenyl)-3-N-ethyl-1-N,2,2-trimethylbutane-1,3-diamine

1-N-(3,5-dimethylphenyl)-3-N-ethyl-1-N,2,2-trimethylbutane-1,3-diamine (PubChem CID 66453646) has the molecular formula C17H30N2 and a molecular weight of 262.44 g/mol. Its IUPAC name is 1-N-(3,5-dimethylphenyl)-3-N-ethyl-1-N,2,2-trimethylbutane-1,3-diamine.

Molecular Properties

Compound Name1-N-(3,5-dimethylphenyl)-3-N-ethyl-1-N,2,2-trimethylbutane-1,3-diamine
PubChem CID66453646
Molecular FormulaC17H30N2
Molecular Weight262.44 g/mol
Exact Mass262.24
IUPAC Name1-N-(3,5-dimethylphenyl)-3-N-ethyl-1-N,2,2-trimethylbutane-1,3-diamine
SMILESCCNC(C)C(C)(C)CN(C)c1cc(C)cc(C)c1
InChIInChI=1S/C17H30N2/c1-8-18-15(4)17(5,6)12-19(7)16-10-13(2)9-14(3)11-16/h9-11,15,18H,8,12H2,1-7H3
InChIKeyOUQKYBFYRDGBBB-UHFFFAOYSA-N
XLogP3.76
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.44
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-N-(3,5-dimethylphenyl)-3-N-ethyl-1-N,2,2-trimethylbutane-1,3-diamine?
The IUPAC name of 1-N-(3,5-dimethylphenyl)-3-N-ethyl-1-N,2,2-trimethylbutane-1,3-diamine (CID 66453646) is 1-N-(3,5-dimethylphenyl)-3-N-ethyl-1-N,2,2-trimethylbutane-1,3-diamine.
What is the SMILES notation for 1-N-(3,5-dimethylphenyl)-3-N-ethyl-1-N,2,2-trimethylbutane-1,3-diamine?
The canonical SMILES for 1-N-(3,5-dimethylphenyl)-3-N-ethyl-1-N,2,2-trimethylbutane-1,3-diamine is CCNC(C)C(C)(C)CN(C)c1cc(C)cc(C)c1.
What is the InChIKey of 1-N-(3,5-dimethylphenyl)-3-N-ethyl-1-N,2,2-trimethylbutane-1,3-diamine?
The InChIKey is OUQKYBFYRDGBBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2/c1-8-18-15(4)17(5,6)12-19(7)16-10-13(2)9-14(3)11-16/h9-11,15,18H,8,12H2,1-7H3.
What are the key properties of 1-N-(3,5-dimethylphenyl)-3-N-ethyl-1-N,2,2-trimethylbutane-1,3-diamine?
1-N-(3,5-dimethylphenyl)-3-N-ethyl-1-N,2,2-trimethylbutane-1,3-diamine has a molecular weight of 262.44 g/mol, XLogP of 3.76, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(3,5-dimethylphenyl)-3-N-ethyl-1-N,2,2-trimethylbutane-1,3-diamine is sourced from PubChem (CID 66453646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).