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

C16H28N2 — CID 62261002

IUPACN'-(3,5-dimethylphenyl)-N-ethyl-N',2,2-trimethylpropane-1,3-diamine
SMILESCCNCC(C)(C)CN(C)c1cc(C)cc(C)c1
InChIInChI=1S/C16H28N2/c1-7-17-11-16(4,5)12-18(6)15-9-13(2)8-14(3)10-15/h8-10,17H,7,11-12H2,1-6H3
InChIKeyCKDIBFLGZVRVDG-UHFFFAOYSA-N
MW248.41 g/mol
LogP3.38
Rot. Bonds6

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

N'-(3,5-dimethylphenyl)-N-ethyl-N',2,2-trimethylpropane-1,3-diamine (PubChem CID 62261002) has the molecular formula C16H28N2 and a molecular weight of 248.41 g/mol. Its IUPAC name is N'-(3,5-dimethylphenyl)-N-ethyl-N',2,2-trimethylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-(3,5-dimethylphenyl)-N-ethyl-N',2,2-trimethylpropane-1,3-diamine
PubChem CID62261002
Molecular FormulaC16H28N2
Molecular Weight248.41 g/mol
Exact Mass248.23
IUPAC NameN'-(3,5-dimethylphenyl)-N-ethyl-N',2,2-trimethylpropane-1,3-diamine
SMILESCCNCC(C)(C)CN(C)c1cc(C)cc(C)c1
InChIInChI=1S/C16H28N2/c1-7-17-11-16(4,5)12-18(6)15-9-13(2)8-14(3)10-15/h8-10,17H,7,11-12H2,1-6H3
InChIKeyCKDIBFLGZVRVDG-UHFFFAOYSA-N
XLogP3.38
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.41
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N'-(3,5-dimethylphenyl)-N-ethyl-N',2,2-trimethylpropane-1,3-diamine?
The IUPAC name of N'-(3,5-dimethylphenyl)-N-ethyl-N',2,2-trimethylpropane-1,3-diamine (CID 62261002) is N'-(3,5-dimethylphenyl)-N-ethyl-N',2,2-trimethylpropane-1,3-diamine.
What is the SMILES notation for N'-(3,5-dimethylphenyl)-N-ethyl-N',2,2-trimethylpropane-1,3-diamine?
The canonical SMILES for N'-(3,5-dimethylphenyl)-N-ethyl-N',2,2-trimethylpropane-1,3-diamine is CCNCC(C)(C)CN(C)c1cc(C)cc(C)c1.
What is the InChIKey of N'-(3,5-dimethylphenyl)-N-ethyl-N',2,2-trimethylpropane-1,3-diamine?
The InChIKey is CKDIBFLGZVRVDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2/c1-7-17-11-16(4,5)12-18(6)15-9-13(2)8-14(3)10-15/h8-10,17H,7,11-12H2,1-6H3.
What are the key properties of N'-(3,5-dimethylphenyl)-N-ethyl-N',2,2-trimethylpropane-1,3-diamine?
N'-(3,5-dimethylphenyl)-N-ethyl-N',2,2-trimethylpropane-1,3-diamine has a molecular weight of 248.41 g/mol, XLogP of 3.38, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3,5-dimethylphenyl)-N-ethyl-N',2,2-trimethylpropane-1,3-diamine is sourced from PubChem (CID 62261002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).