tert-butyl N-[3-[2-(dimethylamino)ethyl-methylamino]phenyl]carbamate

C16H27N3O2 — CID 171547007

IUPACtert-butyl N-[3-[2-(dimethylamino)ethyl-methylamino]phenyl]carbamate
SMILESCN(C)CCN(C)c1cccc(NC(=O)OC(C)(C)C)c1
InChIInChI=1S/C16H27N3O2/c1-16(2,3)21-15(20)17-13-8-7-9-14(12-13)19(6)11-10-18(4)5/h7-9,12H,10-11H2,1-6H3,(H,17,20)
InChIKeyHWSWHPYPKFGRRA-UHFFFAOYSA-N
MW293.41 g/mol
LogP3.03
Rot. Bonds5

About tert-butyl N-[3-[2-(dimethylamino)ethyl-methylamino]phenyl]carbamate

tert-butyl N-[3-[2-(dimethylamino)ethyl-methylamino]phenyl]carbamate (PubChem CID 171547007) has the molecular formula C16H27N3O2 and a molecular weight of 293.41 g/mol. Its IUPAC name is tert-butyl N-[3-[2-(dimethylamino)ethyl-methylamino]phenyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-[2-(dimethylamino)ethyl-methylamino]phenyl]carbamate
PubChem CID171547007
Molecular FormulaC16H27N3O2
Molecular Weight293.41 g/mol
Exact Mass293.21
IUPAC Nametert-butyl N-[3-[2-(dimethylamino)ethyl-methylamino]phenyl]carbamate
SMILESCN(C)CCN(C)c1cccc(NC(=O)OC(C)(C)C)c1
InChIInChI=1S/C16H27N3O2/c1-16(2,3)21-15(20)17-13-8-7-9-14(12-13)19(6)11-10-18(4)5/h7-9,12H,10-11H2,1-6H3,(H,17,20)
InChIKeyHWSWHPYPKFGRRA-UHFFFAOYSA-N
XLogP3.03
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-[2-(dimethylamino)ethyl-methylamino]phenyl]carbamate?
The IUPAC name of tert-butyl N-[3-[2-(dimethylamino)ethyl-methylamino]phenyl]carbamate (CID 171547007) is tert-butyl N-[3-[2-(dimethylamino)ethyl-methylamino]phenyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-[2-(dimethylamino)ethyl-methylamino]phenyl]carbamate?
The canonical SMILES for tert-butyl N-[3-[2-(dimethylamino)ethyl-methylamino]phenyl]carbamate is CN(C)CCN(C)c1cccc(NC(=O)OC(C)(C)C)c1.
What is the InChIKey of tert-butyl N-[3-[2-(dimethylamino)ethyl-methylamino]phenyl]carbamate?
The InChIKey is HWSWHPYPKFGRRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O2/c1-16(2,3)21-15(20)17-13-8-7-9-14(12-13)19(6)11-10-18(4)5/h7-9,12H,10-11H2,1-6H3,(H,17,20).
What are the key properties of tert-butyl N-[3-[2-(dimethylamino)ethyl-methylamino]phenyl]carbamate?
tert-butyl N-[3-[2-(dimethylamino)ethyl-methylamino]phenyl]carbamate has a molecular weight of 293.41 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-[2-(dimethylamino)ethyl-methylamino]phenyl]carbamate is sourced from PubChem (CID 171547007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).