tert-butyl N,N-bis[3-(dimethylamino)propyl]carbamate

C15H33N3O2 — CID 63788311

IUPACtert-butyl N,N-bis[3-(dimethylamino)propyl]carbamate
SMILESCN(C)CCCN(CCCN(C)C)C(=O)OC(C)(C)C
InChIInChI=1S/C15H33N3O2/c1-15(2,3)20-14(19)18(12-8-10-16(4)5)13-9-11-17(6)7/h8-13H2,1-7H3
InChIKeyUNFRYKAJPHTDHD-UHFFFAOYSA-N
MW287.45 g/mol
LogP2.13
Rot. Bonds8

About tert-butyl N,N-bis[3-(dimethylamino)propyl]carbamate

tert-butyl N,N-bis[3-(dimethylamino)propyl]carbamate (PubChem CID 63788311) has the molecular formula C15H33N3O2 and a molecular weight of 287.45 g/mol. Its IUPAC name is tert-butyl N,N-bis[3-(dimethylamino)propyl]carbamate.

Molecular Properties

Compound Nametert-butyl N,N-bis[3-(dimethylamino)propyl]carbamate
PubChem CID63788311
Molecular FormulaC15H33N3O2
Molecular Weight287.45 g/mol
Exact Mass287.26
IUPAC Nametert-butyl N,N-bis[3-(dimethylamino)propyl]carbamate
SMILESCN(C)CCCN(CCCN(C)C)C(=O)OC(C)(C)C
InChIInChI=1S/C15H33N3O2/c1-15(2,3)20-14(19)18(12-8-10-16(4)5)13-9-11-17(6)7/h8-13H2,1-7H3
InChIKeyUNFRYKAJPHTDHD-UHFFFAOYSA-N
XLogP2.13
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.45
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N,N-bis[3-(dimethylamino)propyl]carbamate?
The IUPAC name of tert-butyl N,N-bis[3-(dimethylamino)propyl]carbamate (CID 63788311) is tert-butyl N,N-bis[3-(dimethylamino)propyl]carbamate.
What is the SMILES notation for tert-butyl N,N-bis[3-(dimethylamino)propyl]carbamate?
The canonical SMILES for tert-butyl N,N-bis[3-(dimethylamino)propyl]carbamate is CN(C)CCCN(CCCN(C)C)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N,N-bis[3-(dimethylamino)propyl]carbamate?
The InChIKey is UNFRYKAJPHTDHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33N3O2/c1-15(2,3)20-14(19)18(12-8-10-16(4)5)13-9-11-17(6)7/h8-13H2,1-7H3.
What are the key properties of tert-butyl N,N-bis[3-(dimethylamino)propyl]carbamate?
tert-butyl N,N-bis[3-(dimethylamino)propyl]carbamate has a molecular weight of 287.45 g/mol, XLogP of 2.13, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N,N-bis[3-(dimethylamino)propyl]carbamate is sourced from PubChem (CID 63788311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).