tert-butyl 2-[2-[(1-cyclopropylcyclopropyl)methylamino]propyl]pyrrolidine-1-carboxylate

C19H34N2O2 — CID 104864578

IUPACtert-butyl 2-[2-[(1-cyclopropylcyclopropyl)methylamino]propyl]pyrrolidine-1-carboxylate
SMILESCC(CC1CCCN1C(=O)OC(C)(C)C)NCC1(C2CC2)CC1
InChIInChI=1S/C19H34N2O2/c1-14(20-13-19(9-10-19)15-7-8-15)12-16-6-5-11-21(16)17(22)23-18(2,3)4/h14-16,20H,5-13H2,1-4H3
InChIKeyRMDMPAINQUQQLE-UHFFFAOYSA-N
MW322.49 g/mol
LogP3.94
Rot. Bonds6

About tert-butyl 2-[2-[(1-cyclopropylcyclopropyl)methylamino]propyl]pyrrolidine-1-carboxylate

tert-butyl 2-[2-[(1-cyclopropylcyclopropyl)methylamino]propyl]pyrrolidine-1-carboxylate (PubChem CID 104864578) has the molecular formula C19H34N2O2 and a molecular weight of 322.49 g/mol. Its IUPAC name is tert-butyl 2-[2-[(1-cyclopropylcyclopropyl)methylamino]propyl]pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-[2-[(1-cyclopropylcyclopropyl)methylamino]propyl]pyrrolidine-1-carboxylate
PubChem CID104864578
Molecular FormulaC19H34N2O2
Molecular Weight322.49 g/mol
Exact Mass322.26
IUPAC Nametert-butyl 2-[2-[(1-cyclopropylcyclopropyl)methylamino]propyl]pyrrolidine-1-carboxylate
SMILESCC(CC1CCCN1C(=O)OC(C)(C)C)NCC1(C2CC2)CC1
InChIInChI=1S/C19H34N2O2/c1-14(20-13-19(9-10-19)15-7-8-15)12-16-6-5-11-21(16)17(22)23-18(2,3)4/h14-16,20H,5-13H2,1-4H3
InChIKeyRMDMPAINQUQQLE-UHFFFAOYSA-N
XLogP3.94
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.49
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 2-[2-[(1-hydroxycyclohexyl)methylamino]propyl]pyrrolidine-1-carboxylate
CID 113248612
tert-butyl 2-[2-(2-hydroxypropylamino)propyl]pyrrolidine-1-carboxylate
CID 79540136
tert-butyl 2-[2-(2-aminoethylamino)propyl]pyrrolidine-1-carboxylate
CID 79540794
tert-butyl 2-[2-[[2-(dimethylamino)-2-methylpropyl]amino]propyl]pyrrolidine-1-carboxylate
CID 103723580
tert-butyl 2-[2-[(2-methyl-2-methylsulfanylpropyl)amino]propyl]pyrrolidine-1-carboxylate
CID 103823099
tert-butyl 2-[2-[(4-amino-4-oxobutyl)amino]propyl]pyrrolidine-1-carboxylate
CID 103723630
tert-butyl 4-cyclohexyl-4-[(1-hydroxypropan-2-ylamino)methyl]piperidine-1-carboxylate
CID 20743550
tert-butyl 2-[2-(2-ethoxypropylamino)propyl]pyrrolidine-1-carboxylate
CID 103823087
tert-butyl 2-[2-(2-ethoxyethylamino)propyl]pyrrolidine-1-carboxylate
CID 79537441
tert-butyl 2-[2-(hydroxyamino)propyl]piperidine-1-carboxylate
CID 82687309
tert-butyl 2-[2-(2,2,2-trifluoroethylamino)propyl]piperidine-1-carboxylate
CID 103723920
tert-butyl 2-[2-[(2,2-dimethylcyclopentyl)amino]propyl]pyrrolidine-1-carboxylate
CID 103738424

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[2-[(1-cyclopropylcyclopropyl)methylamino]propyl]pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl 2-[2-[(1-cyclopropylcyclopropyl)methylamino]propyl]pyrrolidine-1-carboxylate (CID 104864578) is tert-butyl 2-[2-[(1-cyclopropylcyclopropyl)methylamino]propyl]pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl 2-[2-[(1-cyclopropylcyclopropyl)methylamino]propyl]pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl 2-[2-[(1-cyclopropylcyclopropyl)methylamino]propyl]pyrrolidine-1-carboxylate is CC(CC1CCCN1C(=O)OC(C)(C)C)NCC1(C2CC2)CC1.
What is the InChIKey of tert-butyl 2-[2-[(1-cyclopropylcyclopropyl)methylamino]propyl]pyrrolidine-1-carboxylate?
The InChIKey is RMDMPAINQUQQLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N2O2/c1-14(20-13-19(9-10-19)15-7-8-15)12-16-6-5-11-21(16)17(22)23-18(2,3)4/h14-16,20H,5-13H2,1-4H3.
What are the key properties of tert-butyl 2-[2-[(1-cyclopropylcyclopropyl)methylamino]propyl]pyrrolidine-1-carboxylate?
tert-butyl 2-[2-[(1-cyclopropylcyclopropyl)methylamino]propyl]pyrrolidine-1-carboxylate has a molecular weight of 322.49 g/mol, XLogP of 3.94, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[2-[(1-cyclopropylcyclopropyl)methylamino]propyl]pyrrolidine-1-carboxylate is sourced from PubChem (CID 104864578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).