tert-butyl N,N-bis[1-(dimethylamino)propyl]carbamate

C15H33N3O2 — CID 87532205

IUPACtert-butyl N,N-bis[1-(dimethylamino)propyl]carbamate
SMILESCCC(N(C)C)N(C(=O)OC(C)(C)C)C(CC)N(C)C
InChIInChI=1S/C15H33N3O2/c1-10-12(16(6)7)18(13(11-2)17(8)9)14(19)20-15(3,4)5/h12-13H,10-11H2,1-9H3
InChIKeyOFJIKWKADJPNPE-UHFFFAOYSA-N
MW287.45 g/mol
LogP2.82
Rot. Bonds6

About tert-butyl N,N-bis[1-(dimethylamino)propyl]carbamate

tert-butyl N,N-bis[1-(dimethylamino)propyl]carbamate (PubChem CID 87532205) has the molecular formula C15H33N3O2 and a molecular weight of 287.45 g/mol. Its IUPAC name is tert-butyl N,N-bis[1-(dimethylamino)propyl]carbamate.

Molecular Properties

Compound Nametert-butyl N,N-bis[1-(dimethylamino)propyl]carbamate
PubChem CID87532205
Molecular FormulaC15H33N3O2
Molecular Weight287.45 g/mol
Exact Mass287.26
IUPAC Nametert-butyl N,N-bis[1-(dimethylamino)propyl]carbamate
SMILESCCC(N(C)C)N(C(=O)OC(C)(C)C)C(CC)N(C)C
InChIInChI=1S/C15H33N3O2/c1-10-12(16(6)7)18(13(11-2)17(8)9)14(19)20-15(3,4)5/h12-13H,10-11H2,1-9H3
InChIKeyOFJIKWKADJPNPE-UHFFFAOYSA-N
XLogP2.82
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.45
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze tert-butyl N,N-bis[1-(dimethylamino)propyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl N-methyl-N-pentan-3-ylcarbamate
CID 63787817
tert-butyl N-[2-hydroxy-3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propyl]-N-methylcarbamate
CID 22485464
tert-butyl N-ethyl-N-(2-methylbutyl)carbamate
CID 79470192
methyl (3R)-4-methyl-3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]hexanoate
CID 10659864
tert-butyl N-methyl-N-(3-methylbutyl)carbamate;propane
CID 163221568
tert-butyl N-methoxycarbonyl-N-(2-methylbutyl)carbamate
CID 87525206
tert-butyl N-[(2R)-1-hydroxypropan-2-yl]-N-methylcarbamate
CID 131045912
tert-butyl N-(2-fluoropropyl)-N-methylcarbamate
CID 123325523
tert-butyl N-ethyl-N-(2-methyl-1-oxopropan-2-yl)carbamate
CID 86714540
tert-butyl N-(2-bromopropyl)-N-methylcarbamate
CID 114293384
tert-butyl N-methyl-N-[(2S)-pentan-2-yl]carbamate
CID 141142694
3-methyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoate
CID 4639500

Frequently Asked Questions

What is the IUPAC name of tert-butyl N,N-bis[1-(dimethylamino)propyl]carbamate?
The IUPAC name of tert-butyl N,N-bis[1-(dimethylamino)propyl]carbamate (CID 87532205) is tert-butyl N,N-bis[1-(dimethylamino)propyl]carbamate.
What is the SMILES notation for tert-butyl N,N-bis[1-(dimethylamino)propyl]carbamate?
The canonical SMILES for tert-butyl N,N-bis[1-(dimethylamino)propyl]carbamate is CCC(N(C)C)N(C(=O)OC(C)(C)C)C(CC)N(C)C.
What is the InChIKey of tert-butyl N,N-bis[1-(dimethylamino)propyl]carbamate?
The InChIKey is OFJIKWKADJPNPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33N3O2/c1-10-12(16(6)7)18(13(11-2)17(8)9)14(19)20-15(3,4)5/h12-13H,10-11H2,1-9H3.
What are the key properties of tert-butyl N,N-bis[1-(dimethylamino)propyl]carbamate?
tert-butyl N,N-bis[1-(dimethylamino)propyl]carbamate has a molecular weight of 287.45 g/mol, XLogP of 2.82, 6 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[1-(dimethylamino)propyl]carbamate is sourced from PubChem (CID 87532205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).