tert-butyl N-[2-(1-pyrrolidin-2-ylpropan-2-ylamino)cyclopropyl]carbamate

C15H29N3O2 — CID 107237914

IUPACtert-butyl N-[2-(1-pyrrolidin-2-ylpropan-2-ylamino)cyclopropyl]carbamate
SMILESCC(CC1CCCN1)NC1CC1NC(=O)OC(C)(C)C
InChIInChI=1S/C15H29N3O2/c1-10(8-11-6-5-7-16-11)17-12-9-13(12)18-14(19)20-15(2,3)4/h10-13,16-17H,5-9H2,1-4H3,(H,18,19)
InChIKeyFRACISXSXHSXBM-UHFFFAOYSA-N
MW283.42 g/mol
LogP1.77
Rot. Bonds5

About tert-butyl N-[2-(1-pyrrolidin-2-ylpropan-2-ylamino)cyclopropyl]carbamate

tert-butyl N-[2-(1-pyrrolidin-2-ylpropan-2-ylamino)cyclopropyl]carbamate (PubChem CID 107237914) has the molecular formula C15H29N3O2 and a molecular weight of 283.42 g/mol. Its IUPAC name is tert-butyl N-[2-(1-pyrrolidin-2-ylpropan-2-ylamino)cyclopropyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(1-pyrrolidin-2-ylpropan-2-ylamino)cyclopropyl]carbamate
PubChem CID107237914
Molecular FormulaC15H29N3O2
Molecular Weight283.42 g/mol
Exact Mass283.23
IUPAC Nametert-butyl N-[2-(1-pyrrolidin-2-ylpropan-2-ylamino)cyclopropyl]carbamate
SMILESCC(CC1CCCN1)NC1CC1NC(=O)OC(C)(C)C
InChIInChI=1S/C15H29N3O2/c1-10(8-11-6-5-7-16-11)17-12-9-13(12)18-14(19)20-15(2,3)4/h10-13,16-17H,5-9H2,1-4H3,(H,18,19)
InChIKeyFRACISXSXHSXBM-UHFFFAOYSA-N
XLogP1.77
TPSA62.39 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 51.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[2-[1-(azepan-2-yl)propan-2-ylamino]cyclopropyl]carbamate
CID 107238327
tert-butyl N-[[2-(1-pyrrolidin-2-ylpropan-2-ylamino)cyclopentyl]methyl]carbamate
CID 107251471
tert-butyl N-[2-(4-methylpentan-2-ylamino)cyclopropyl]carbamate
CID 107238063
tert-butyl N-[2-(1-methoxypropan-2-ylamino)cyclopropyl]carbamate
CID 107237881
tert-butyl N-[2-(hexan-2-ylamino)cyclopropyl]carbamate
CID 107237524
tert-butyl N-[2-(1-methylsulfonylpropan-2-ylamino)cyclopropyl]carbamate
CID 107237655
tert-butyl N-[2-(1-ethoxypropan-2-ylamino)cyclopropyl]carbamate
CID 107238308
tert-butyl N-[2-(piperidin-2-ylmethylamino)cycloheptyl]carbamate
CID 107244141
tert-butyl 4-(1-pyrrolidin-2-ylpropan-2-ylamino)azepane-1-carboxylate
CID 107255060
2,3-dimethyl-N-(1-pyrrolidin-2-ylpropan-2-yl)cyclopentan-1-amine
CID 79541319
tert-butyl 6-(1-piperidin-2-ylpropan-2-ylamino)-3-azabicyclo[3.1.0]hexane-3-carboxylate
CID 107238586
tert-butyl 3-(1-piperidin-2-ylpropan-2-ylamino)piperidine-1-carboxylate
CID 107241518

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(1-pyrrolidin-2-ylpropan-2-ylamino)cyclopropyl]carbamate?
The IUPAC name of tert-butyl N-[2-(1-pyrrolidin-2-ylpropan-2-ylamino)cyclopropyl]carbamate (CID 107237914) is tert-butyl N-[2-(1-pyrrolidin-2-ylpropan-2-ylamino)cyclopropyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(1-pyrrolidin-2-ylpropan-2-ylamino)cyclopropyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(1-pyrrolidin-2-ylpropan-2-ylamino)cyclopropyl]carbamate is CC(CC1CCCN1)NC1CC1NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[2-(1-pyrrolidin-2-ylpropan-2-ylamino)cyclopropyl]carbamate?
The InChIKey is FRACISXSXHSXBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O2/c1-10(8-11-6-5-7-16-11)17-12-9-13(12)18-14(19)20-15(2,3)4/h10-13,16-17H,5-9H2,1-4H3,(H,18,19).
What are the key properties of tert-butyl N-[2-(1-pyrrolidin-2-ylpropan-2-ylamino)cyclopropyl]carbamate?
tert-butyl N-[2-(1-pyrrolidin-2-ylpropan-2-ylamino)cyclopropyl]carbamate has a molecular weight of 283.42 g/mol, XLogP of 1.77, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(1-pyrrolidin-2-ylpropan-2-ylamino)cyclopropyl]carbamate is sourced from PubChem (CID 107237914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).