tert-butyl N-butyl-N-[2-[3-[(cyclopropylmethylamino)methyl]pyrrolidin-1-yl]ethyl]carbamate

C20H39N3O2 — CID 112722281

IUPACtert-butyl N-butyl-N-[2-[3-[(cyclopropylmethylamino)methyl]pyrrolidin-1-yl]ethyl]carbamate
SMILESCCCCN(CCN1CCC(CNCC2CC2)C1)C(=O)OC(C)(C)C
InChIInChI=1S/C20H39N3O2/c1-5-6-10-23(19(24)25-20(2,3)4)13-12-22-11-9-18(16-22)15-21-14-17-7-8-17/h17-18,21H,5-16H2,1-4H3
InChIKeyRPBBMPOHLCRJHW-UHFFFAOYSA-N
MW353.55 g/mol
LogP3.35
Rot. Bonds10

About tert-butyl N-butyl-N-[2-[3-[(cyclopropylmethylamino)methyl]pyrrolidin-1-yl]ethyl]carbamate

tert-butyl N-butyl-N-[2-[3-[(cyclopropylmethylamino)methyl]pyrrolidin-1-yl]ethyl]carbamate (PubChem CID 112722281) has the molecular formula C20H39N3O2 and a molecular weight of 353.55 g/mol. Its IUPAC name is tert-butyl N-butyl-N-[2-[3-[(cyclopropylmethylamino)methyl]pyrrolidin-1-yl]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-butyl-N-[2-[3-[(cyclopropylmethylamino)methyl]pyrrolidin-1-yl]ethyl]carbamate
PubChem CID112722281
Molecular FormulaC20H39N3O2
Molecular Weight353.55 g/mol
Exact Mass353.30
IUPAC Nametert-butyl N-butyl-N-[2-[3-[(cyclopropylmethylamino)methyl]pyrrolidin-1-yl]ethyl]carbamate
SMILESCCCCN(CCN1CCC(CNCC2CC2)C1)C(=O)OC(C)(C)C
InChIInChI=1S/C20H39N3O2/c1-5-6-10-23(19(24)25-20(2,3)4)13-12-22-11-9-18(16-22)15-21-14-17-7-8-17/h17-18,21H,5-16H2,1-4H3
InChIKeyRPBBMPOHLCRJHW-UHFFFAOYSA-N
XLogP3.35
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.55
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-butyl-N-[2-[3-[(propan-2-ylamino)methyl]pyrrolidin-1-yl]ethyl]carbamate
CID 112722279
tert-butyl N-[2-[3-(butylaminomethyl)pyrrolidin-1-yl]ethyl]-N-ethylcarbamate
CID 112722255
tert-butyl N-ethyl-N-[2-[3-[(2-methylpropylamino)methyl]pyrrolidin-1-yl]ethyl]carbamate
CID 112722256
tert-butyl N-cyclopropyl-N-[2-[3-[(cyclopropylmethylamino)methyl]pyrrolidin-1-yl]ethyl]carbamate
CID 112722275
tert-butyl N-[(1-propylpyrrolidin-3-yl)methyl]carbamate
CID 83981043
tert-butyl N-[[1-[2-(propylamino)ethyl]pyrrolidin-3-yl]methyl]carbamate
CID 83963319
tert-butyl N,N-dipentylcarbamate
CID 65142743
3-[butyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoic acid
CID 42656893
tert-butyl N-[2-(cyclobutylmethylamino)ethyl]-N-propylcarbamate
CID 107246153
tert-butyl N-butyl-N-(2-chloroethyl)carbamate
CID 114293365
tert-butyl N-[2-(cycloheptylmethylamino)ethyl]-N-propylcarbamate
CID 107246252
tert-butyl N-[2-(cyclohexylmethylamino)ethyl]-N-propylcarbamate
CID 107246090

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-butyl-N-[2-[3-[(cyclopropylmethylamino)methyl]pyrrolidin-1-yl]ethyl]carbamate?
The IUPAC name of tert-butyl N-butyl-N-[2-[3-[(cyclopropylmethylamino)methyl]pyrrolidin-1-yl]ethyl]carbamate (CID 112722281) is tert-butyl N-butyl-N-[2-[3-[(cyclopropylmethylamino)methyl]pyrrolidin-1-yl]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-butyl-N-[2-[3-[(cyclopropylmethylamino)methyl]pyrrolidin-1-yl]ethyl]carbamate?
The canonical SMILES for tert-butyl N-butyl-N-[2-[3-[(cyclopropylmethylamino)methyl]pyrrolidin-1-yl]ethyl]carbamate is CCCCN(CCN1CCC(CNCC2CC2)C1)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-butyl-N-[2-[3-[(cyclopropylmethylamino)methyl]pyrrolidin-1-yl]ethyl]carbamate?
The InChIKey is RPBBMPOHLCRJHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H39N3O2/c1-5-6-10-23(19(24)25-20(2,3)4)13-12-22-11-9-18(16-22)15-21-14-17-7-8-17/h17-18,21H,5-16H2,1-4H3.
What are the key properties of tert-butyl N-butyl-N-[2-[3-[(cyclopropylmethylamino)methyl]pyrrolidin-1-yl]ethyl]carbamate?
tert-butyl N-butyl-N-[2-[3-[(cyclopropylmethylamino)methyl]pyrrolidin-1-yl]ethyl]carbamate has a molecular weight of 353.55 g/mol, XLogP of 3.35, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-butyl-N-[2-[3-[(cyclopropylmethylamino)methyl]pyrrolidin-1-yl]ethyl]carbamate is sourced from PubChem (CID 112722281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).