tert-butyl N-[3-[(3-aminocyclopentyl)amino]-2,2-difluoropropyl]carbamate

C13H25F2N3O2 — CID 107257482

IUPACtert-butyl N-[3-[(3-aminocyclopentyl)amino]-2,2-difluoropropyl]carbamate
SMILESCC(C)(C)OC(=O)NCC(F)(F)CNC1CCC(N)C1
InChIInChI=1S/C13H25F2N3O2/c1-12(2,3)20-11(19)18-8-13(14,15)7-17-10-5-4-9(16)6-10/h9-10,17H,4-8,16H2,1-3H3,(H,18,19)
InChIKeyHPCSLDRRRVEFQT-UHFFFAOYSA-N
MW293.36 g/mol
LogP1.62
Rot. Bonds5

About tert-butyl N-[3-[(3-aminocyclopentyl)amino]-2,2-difluoropropyl]carbamate

tert-butyl N-[3-[(3-aminocyclopentyl)amino]-2,2-difluoropropyl]carbamate (PubChem CID 107257482) has the molecular formula C13H25F2N3O2 and a molecular weight of 293.36 g/mol. Its IUPAC name is tert-butyl N-[3-[(3-aminocyclopentyl)amino]-2,2-difluoropropyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-[(3-aminocyclopentyl)amino]-2,2-difluoropropyl]carbamate
PubChem CID107257482
Molecular FormulaC13H25F2N3O2
Molecular Weight293.36 g/mol
Exact Mass293.19
IUPAC Nametert-butyl N-[3-[(3-aminocyclopentyl)amino]-2,2-difluoropropyl]carbamate
SMILESCC(C)(C)OC(=O)NCC(F)(F)CNC1CCC(N)C1
InChIInChI=1S/C13H25F2N3O2/c1-12(2,3)20-11(19)18-8-13(14,15)7-17-10-5-4-9(16)6-10/h9-10,17H,4-8,16H2,1-3H3,(H,18,19)
InChIKeyHPCSLDRRRVEFQT-UHFFFAOYSA-N
XLogP1.62
TPSA76.38 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 51.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[3-(cycloheptylamino)-2,2-difluoropropyl]carbamate
CID 107257366
tert-butyl N-[2,2-difluoro-3-[(3-methylcyclohexyl)amino]propyl]carbamate
CID 107257517
tert-butyl N-[2,2-difluoro-3-[(4-methylcycloheptyl)amino]propyl]carbamate
CID 107257414
tert-butyl N-[3-[(1-acetylpiperidin-4-yl)amino]-2,2-difluoropropyl]carbamate
CID 104953969
tert-butyl N-[(1S)-3-aminocyclopentyl]carbamate
CID 129185983
tert-butyl N-[2,2-difluoro-3-[(1-prop-2-ynylpiperidin-4-yl)amino]propyl]carbamate
CID 104955545
tert-butyl N-(3-aminocyclopentyl)carbamate;hydrochloride
CID 45156792
3-[(3-aminocyclopentyl)amino]-2,2-difluoropropan-1-ol
CID 106172985
tert-butyl N-[1-[(3-aminocyclopentyl)amino]-3-methylbutan-2-yl]carbamate
CID 107248841
tert-butyl N-[3-(dicyclopropylmethylamino)-2,2-difluoropropyl]carbamate
CID 104955558
tert-butyl N-[(3R)-3-(2,2,2-trifluoroethylamino)cyclopentyl]carbamate;molecular hydrogen
CID 158239331
tert-butyl N-[7-[(4-aminocyclohexyl)amino]heptyl]carbamate
CID 177068003

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-[(3-aminocyclopentyl)amino]-2,2-difluoropropyl]carbamate?
The IUPAC name of tert-butyl N-[3-[(3-aminocyclopentyl)amino]-2,2-difluoropropyl]carbamate (CID 107257482) is tert-butyl N-[3-[(3-aminocyclopentyl)amino]-2,2-difluoropropyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-[(3-aminocyclopentyl)amino]-2,2-difluoropropyl]carbamate?
The canonical SMILES for tert-butyl N-[3-[(3-aminocyclopentyl)amino]-2,2-difluoropropyl]carbamate is CC(C)(C)OC(=O)NCC(F)(F)CNC1CCC(N)C1.
What is the InChIKey of tert-butyl N-[3-[(3-aminocyclopentyl)amino]-2,2-difluoropropyl]carbamate?
The InChIKey is HPCSLDRRRVEFQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25F2N3O2/c1-12(2,3)20-11(19)18-8-13(14,15)7-17-10-5-4-9(16)6-10/h9-10,17H,4-8,16H2,1-3H3,(H,18,19).
What are the key properties of tert-butyl N-[3-[(3-aminocyclopentyl)amino]-2,2-difluoropropyl]carbamate?
tert-butyl N-[3-[(3-aminocyclopentyl)amino]-2,2-difluoropropyl]carbamate has a molecular weight of 293.36 g/mol, XLogP of 1.62, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-[(3-aminocyclopentyl)amino]-2,2-difluoropropyl]carbamate is sourced from PubChem (CID 107257482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).