tert-butyl 3-[2-(dimethylamino)propylamino]pyrrolidine-1-carboxylate

C14H29N3O2 — CID 81462982

IUPACtert-butyl 3-[2-(dimethylamino)propylamino]pyrrolidine-1-carboxylate
SMILESCC(CNC1CCN(C(=O)OC(C)(C)C)C1)N(C)C
InChIInChI=1S/C14H29N3O2/c1-11(16(5)6)9-15-12-7-8-17(10-12)13(18)19-14(2,3)4/h11-12,15H,7-10H2,1-6H3
InChIKeyPGFNOMYZHISMGR-UHFFFAOYSA-N
MW271.40 g/mol
LogP1.54
Rot. Bonds4

About tert-butyl 3-[2-(dimethylamino)propylamino]pyrrolidine-1-carboxylate

tert-butyl 3-[2-(dimethylamino)propylamino]pyrrolidine-1-carboxylate (PubChem CID 81462982) has the molecular formula C14H29N3O2 and a molecular weight of 271.40 g/mol. Its IUPAC name is tert-butyl 3-[2-(dimethylamino)propylamino]pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-[2-(dimethylamino)propylamino]pyrrolidine-1-carboxylate
PubChem CID81462982
Molecular FormulaC14H29N3O2
Molecular Weight271.40 g/mol
Exact Mass271.23
IUPAC Nametert-butyl 3-[2-(dimethylamino)propylamino]pyrrolidine-1-carboxylate
SMILESCC(CNC1CCN(C(=O)OC(C)(C)C)C1)N(C)C
InChIInChI=1S/C14H29N3O2/c1-11(16(5)6)9-15-12-7-8-17(10-12)13(18)19-14(2,3)4/h11-12,15H,7-10H2,1-6H3
InChIKeyPGFNOMYZHISMGR-UHFFFAOYSA-N
XLogP1.54
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 3-[[2-(dimethylamino)-4-methylpentyl]amino]pyrrolidine-1-carboxylate
CID 103801751
tert-butyl (3R)-3-(2-methylpropylamino)piperidine-1-carboxylate
CID 53256504
tert-butyl 3-(2-ethylbutanoylamino)pyrrolidine-1-carboxylate;ethane
CID 145162230
tert-butyl 3-[[2-(dimethylamino)-2-thiophen-2-ylethyl]amino]pyrrolidine-1-carboxylate
CID 103801716
tert-butyl 3-(7-methyloctylamino)pyrrolidine-1-carboxylate
CID 103820828
tert-butyl 3-[(2-fluoro-2-methylpropyl)amino]pyrrolidine-1-carboxylate
CID 84710216
tert-butyl 3-[(2-oxo-2-piperidin-1-ylethyl)amino]pyrrolidine-1-carboxylate
CID 103801756
tert-butyl 3-[(2,2-dimethylcyclopropyl)methylamino]pyrrolidine-1-carboxylate
CID 103802015
tert-butyl 3-(2,2-dimethylheptylamino)pyrrolidine-1-carboxylate
CID 103820994
tert-butyl 3-(1-aminopropan-2-ylamino)pyrrolidine-1-carboxylate
CID 107239410
tert-butyl 4-(2-methoxypropylamino)piperidine-1-carboxylate
CID 102696916
tert-butyl 3-(cycloheptylmethylamino)pyrrolidine-1-carboxylate
CID 107239420

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[2-(dimethylamino)propylamino]pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl 3-[2-(dimethylamino)propylamino]pyrrolidine-1-carboxylate (CID 81462982) is tert-butyl 3-[2-(dimethylamino)propylamino]pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-[2-(dimethylamino)propylamino]pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-[2-(dimethylamino)propylamino]pyrrolidine-1-carboxylate is CC(CNC1CCN(C(=O)OC(C)(C)C)C1)N(C)C.
What is the InChIKey of tert-butyl 3-[2-(dimethylamino)propylamino]pyrrolidine-1-carboxylate?
The InChIKey is PGFNOMYZHISMGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O2/c1-11(16(5)6)9-15-12-7-8-17(10-12)13(18)19-14(2,3)4/h11-12,15H,7-10H2,1-6H3.
What are the key properties of tert-butyl 3-[2-(dimethylamino)propylamino]pyrrolidine-1-carboxylate?
tert-butyl 3-[2-(dimethylamino)propylamino]pyrrolidine-1-carboxylate has a molecular weight of 271.40 g/mol, XLogP of 1.54, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[2-(dimethylamino)propylamino]pyrrolidine-1-carboxylate is sourced from PubChem (CID 81462982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).