tert-butyl N-[2-[(3-methyl-2-pyrrolidin-1-ylbutyl)amino]propyl]carbamate

C17H35N3O2 — CID 103387657

IUPACtert-butyl N-[2-[(3-methyl-2-pyrrolidin-1-ylbutyl)amino]propyl]carbamate
SMILESCC(CNC(=O)OC(C)(C)C)NCC(C(C)C)N1CCCC1
InChIInChI=1S/C17H35N3O2/c1-13(2)15(20-9-7-8-10-20)12-18-14(3)11-19-16(21)22-17(4,5)6/h13-15,18H,7-12H2,1-6H3,(H,19,21)
InChIKeyRVBWMCXKYARPKQ-UHFFFAOYSA-N
MW313.49 g/mol
LogP2.61
Rot. Bonds7

About tert-butyl N-[2-[(3-methyl-2-pyrrolidin-1-ylbutyl)amino]propyl]carbamate

tert-butyl N-[2-[(3-methyl-2-pyrrolidin-1-ylbutyl)amino]propyl]carbamate (PubChem CID 103387657) has the molecular formula C17H35N3O2 and a molecular weight of 313.49 g/mol. Its IUPAC name is tert-butyl N-[2-[(3-methyl-2-pyrrolidin-1-ylbutyl)amino]propyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[(3-methyl-2-pyrrolidin-1-ylbutyl)amino]propyl]carbamate
PubChem CID103387657
Molecular FormulaC17H35N3O2
Molecular Weight313.49 g/mol
Exact Mass313.27
IUPAC Nametert-butyl N-[2-[(3-methyl-2-pyrrolidin-1-ylbutyl)amino]propyl]carbamate
SMILESCC(CNC(=O)OC(C)(C)C)NCC(C(C)C)N1CCCC1
InChIInChI=1S/C17H35N3O2/c1-13(2)15(20-9-7-8-10-20)12-18-14(3)11-19-16(21)22-17(4,5)6/h13-15,18H,7-12H2,1-6H3,(H,19,21)
InChIKeyRVBWMCXKYARPKQ-UHFFFAOYSA-N
XLogP2.61
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.49
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze tert-butyl N-[2-[(3-methyl-2-pyrrolidin-1-ylbutyl)amino]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-[(2R)-2-pyrrolidin-1-ylpropyl]carbamate
CID 174442745
tert-butyl N-[2-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]propyl]carbamate
CID 103387449
tert-butyl N-[(2S)-2-(ethylamino)propyl]carbamate
CID 59438683
tert-butyl N-[2-(2-methylbutylamino)propyl]carbamate
CID 103389833
tert-butyl N-[2-(cyclopentylmethylamino)propyl]carbamate
CID 103387805
tert-butyl N-[2-(propan-2-ylamino)propyl]carbamate
CID 103386965
tert-butyl N-[2-[2-(dimethylamino)propylamino]propyl]carbamate
CID 103389411
tert-butyl N-[3-amino-2-(azocan-1-yl)propyl]carbamate
CID 102729511
tert-butyl N-[2-[(2-hydroxy-4-methylpentyl)amino]propyl]carbamate
CID 107151588
tert-butyl N-[2-(2-methylsulfinylethylamino)propyl]carbamate
CID 103390998
tert-butyl N-[2-[3-(4-methylpiperazin-1-yl)propylamino]propyl]carbamate
CID 103387457
tert-butyl N-[2-(2-methoxyethylamino)propyl]carbamate
CID 103386968

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[(3-methyl-2-pyrrolidin-1-ylbutyl)amino]propyl]carbamate?
The IUPAC name of tert-butyl N-[2-[(3-methyl-2-pyrrolidin-1-ylbutyl)amino]propyl]carbamate (CID 103387657) is tert-butyl N-[2-[(3-methyl-2-pyrrolidin-1-ylbutyl)amino]propyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[(3-methyl-2-pyrrolidin-1-ylbutyl)amino]propyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[(3-methyl-2-pyrrolidin-1-ylbutyl)amino]propyl]carbamate is CC(CNC(=O)OC(C)(C)C)NCC(C(C)C)N1CCCC1.
What is the InChIKey of tert-butyl N-[2-[(3-methyl-2-pyrrolidin-1-ylbutyl)amino]propyl]carbamate?
The InChIKey is RVBWMCXKYARPKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35N3O2/c1-13(2)15(20-9-7-8-10-20)12-18-14(3)11-19-16(21)22-17(4,5)6/h13-15,18H,7-12H2,1-6H3,(H,19,21).
What are the key properties of tert-butyl N-[2-[(3-methyl-2-pyrrolidin-1-ylbutyl)amino]propyl]carbamate?
tert-butyl N-[2-[(3-methyl-2-pyrrolidin-1-ylbutyl)amino]propyl]carbamate has a molecular weight of 313.49 g/mol, XLogP of 2.61, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[(3-methyl-2-pyrrolidin-1-ylbutyl)amino]propyl]carbamate is sourced from PubChem (CID 103387657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).