tert-butyl N-[2-methyl-1-[(1-propylpyrrol-2-yl)methylamino]propan-2-yl]carbamate

C17H31N3O2 — CID 107249905

IUPACtert-butyl N-[2-methyl-1-[(1-propylpyrrol-2-yl)methylamino]propan-2-yl]carbamate
SMILESCCCn1cccc1CNCC(C)(C)NC(=O)OC(C)(C)C
InChIInChI=1S/C17H31N3O2/c1-7-10-20-11-8-9-14(20)12-18-13-17(5,6)19-15(21)22-16(2,3)4/h8-9,11,18H,7,10,12-13H2,1-6H3,(H,19,21)
InChIKeyWUBHIEPUNJJHOZ-UHFFFAOYSA-N
MW309.45 g/mol
LogP3.29
Rot. Bonds7

About tert-butyl N-[2-methyl-1-[(1-propylpyrrol-2-yl)methylamino]propan-2-yl]carbamate

tert-butyl N-[2-methyl-1-[(1-propylpyrrol-2-yl)methylamino]propan-2-yl]carbamate (PubChem CID 107249905) has the molecular formula C17H31N3O2 and a molecular weight of 309.45 g/mol. Its IUPAC name is tert-butyl N-[2-methyl-1-[(1-propylpyrrol-2-yl)methylamino]propan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-methyl-1-[(1-propylpyrrol-2-yl)methylamino]propan-2-yl]carbamate
PubChem CID107249905
Molecular FormulaC17H31N3O2
Molecular Weight309.45 g/mol
Exact Mass309.24
IUPAC Nametert-butyl N-[2-methyl-1-[(1-propylpyrrol-2-yl)methylamino]propan-2-yl]carbamate
SMILESCCCn1cccc1CNCC(C)(C)NC(=O)OC(C)(C)C
InChIInChI=1S/C17H31N3O2/c1-7-10-20-11-8-9-14(20)12-18-13-17(5,6)19-15(21)22-16(2,3)4/h8-9,11,18H,7,10,12-13H2,1-6H3,(H,19,21)
InChIKeyWUBHIEPUNJJHOZ-UHFFFAOYSA-N
XLogP3.29
TPSA55.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.45
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze tert-butyl N-[2-methyl-1-[(1-propylpyrrol-2-yl)methylamino]propan-2-yl]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-[3-[(1-ethylpyrrol-2-yl)methylamino]-2,2-difluoropropyl]carbamate
CID 107257566
3-[[(1-propylpyrrol-2-yl)methylamino]methyl]pentan-3-ol
CID 66443840
4-[[[2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]amino]methyl]benzoic acid
CID 107249964
tert-butyl N-[4-[(1-ethylpyrrol-2-yl)methylamino]phenyl]carbamate
CID 107240502
2-methyl-2-(4-methylpiperazin-1-yl)-N-[(1-propylpyrrol-2-yl)methyl]propan-1-amine
CID 66413668
tert-butyl 3-[(1-propylpyrrol-2-yl)methylamino]piperidine-1-carboxylate
CID 107241480
tert-butyl N-[1-[(2-aminophenyl)methylamino]-2-methylpropan-2-yl]carbamate
CID 107249937
N-ethyl-N-methyl-2-[(1-propylpyrrol-2-yl)methylamino]acetamide
CID 107640510
N-(2-methoxyethyl)-2-[(1-propylpyrrol-2-yl)methylamino]acetamide
CID 113405048
tert-butyl N-[1-[(3-chloro-2-fluorophenyl)methylamino]-2-methylpropan-2-yl]carbamate
CID 103761977
N-cyclopropyl-3-[(1-propylpyrrol-2-yl)methylamino]propanamide
CID 79394241
2-methoxy-N-[(1-propylpyrrol-2-yl)methyl]aniline
CID 66411864

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-methyl-1-[(1-propylpyrrol-2-yl)methylamino]propan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[2-methyl-1-[(1-propylpyrrol-2-yl)methylamino]propan-2-yl]carbamate (CID 107249905) is tert-butyl N-[2-methyl-1-[(1-propylpyrrol-2-yl)methylamino]propan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[2-methyl-1-[(1-propylpyrrol-2-yl)methylamino]propan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[2-methyl-1-[(1-propylpyrrol-2-yl)methylamino]propan-2-yl]carbamate is CCCn1cccc1CNCC(C)(C)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[2-methyl-1-[(1-propylpyrrol-2-yl)methylamino]propan-2-yl]carbamate?
The InChIKey is WUBHIEPUNJJHOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3O2/c1-7-10-20-11-8-9-14(20)12-18-13-17(5,6)19-15(21)22-16(2,3)4/h8-9,11,18H,7,10,12-13H2,1-6H3,(H,19,21).
What are the key properties of tert-butyl N-[2-methyl-1-[(1-propylpyrrol-2-yl)methylamino]propan-2-yl]carbamate?
tert-butyl N-[2-methyl-1-[(1-propylpyrrol-2-yl)methylamino]propan-2-yl]carbamate has a molecular weight of 309.45 g/mol, XLogP of 3.29, 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-methyl-1-[(1-propylpyrrol-2-yl)methylamino]propan-2-yl]carbamate is sourced from PubChem (CID 107249905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).