N-tert-butyl-N'-[2-(dimethylamino)ethyl]-2-ethyl-2-methyl-N'-propylpropane-1,3-diamine

C17H39N3 — CID 62261000

IUPACN-tert-butyl-N'-[2-(dimethylamino)ethyl]-2-ethyl-2-methyl-N'-propylpropane-1,3-diamine
SMILESCCCN(CCN(C)C)CC(C)(CC)CNC(C)(C)C
InChIInChI=1S/C17H39N3/c1-9-11-20(13-12-19(7)8)15-17(6,10-2)14-18-16(3,4)5/h18H,9-15H2,1-8H3
InChIKeyOBYQDGVENJNGLY-UHFFFAOYSA-N
MW285.52 g/mol
LogP3.06
Rot. Bonds10

About N-tert-butyl-N'-[2-(dimethylamino)ethyl]-2-ethyl-2-methyl-N'-propylpropane-1,3-diamine

N-tert-butyl-N'-[2-(dimethylamino)ethyl]-2-ethyl-2-methyl-N'-propylpropane-1,3-diamine (PubChem CID 62261000) has the molecular formula C17H39N3 and a molecular weight of 285.52 g/mol. Its IUPAC name is N-tert-butyl-N'-[2-(dimethylamino)ethyl]-2-ethyl-2-methyl-N'-propylpropane-1,3-diamine.

Molecular Properties

Compound NameN-tert-butyl-N'-[2-(dimethylamino)ethyl]-2-ethyl-2-methyl-N'-propylpropane-1,3-diamine
PubChem CID62261000
Molecular FormulaC17H39N3
Molecular Weight285.52 g/mol
Exact Mass285.31
IUPAC NameN-tert-butyl-N'-[2-(dimethylamino)ethyl]-2-ethyl-2-methyl-N'-propylpropane-1,3-diamine
SMILESCCCN(CCN(C)C)CC(C)(CC)CNC(C)(C)C
InChIInChI=1S/C17H39N3/c1-9-11-20(13-12-19(7)8)15-17(6,10-2)14-18-16(3,4)5/h18H,9-15H2,1-8H3
InChIKeyOBYQDGVENJNGLY-UHFFFAOYSA-N
XLogP3.06
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.52
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-N'-[2-(dimethylamino)ethyl]-2-ethyl-2-methyl-N'-propylpropane-1,3-diamine?
The IUPAC name of N-tert-butyl-N'-[2-(dimethylamino)ethyl]-2-ethyl-2-methyl-N'-propylpropane-1,3-diamine (CID 62261000) is N-tert-butyl-N'-[2-(dimethylamino)ethyl]-2-ethyl-2-methyl-N'-propylpropane-1,3-diamine.
What is the SMILES notation for N-tert-butyl-N'-[2-(dimethylamino)ethyl]-2-ethyl-2-methyl-N'-propylpropane-1,3-diamine?
The canonical SMILES for N-tert-butyl-N'-[2-(dimethylamino)ethyl]-2-ethyl-2-methyl-N'-propylpropane-1,3-diamine is CCCN(CCN(C)C)CC(C)(CC)CNC(C)(C)C.
What is the InChIKey of N-tert-butyl-N'-[2-(dimethylamino)ethyl]-2-ethyl-2-methyl-N'-propylpropane-1,3-diamine?
The InChIKey is OBYQDGVENJNGLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H39N3/c1-9-11-20(13-12-19(7)8)15-17(6,10-2)14-18-16(3,4)5/h18H,9-15H2,1-8H3.
What are the key properties of N-tert-butyl-N'-[2-(dimethylamino)ethyl]-2-ethyl-2-methyl-N'-propylpropane-1,3-diamine?
N-tert-butyl-N'-[2-(dimethylamino)ethyl]-2-ethyl-2-methyl-N'-propylpropane-1,3-diamine has a molecular weight of 285.52 g/mol, XLogP of 3.06, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-N'-[2-(dimethylamino)ethyl]-2-ethyl-2-methyl-N'-propylpropane-1,3-diamine is sourced from PubChem (CID 62261000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).