tert-butyl N-[2,2-difluoro-3-[(3-methylcyclohexyl)amino]propyl]carbamate

C15H28F2N2O2 — CID 107257517

IUPACtert-butyl N-[2,2-difluoro-3-[(3-methylcyclohexyl)amino]propyl]carbamate
SMILESCC1CCCC(NCC(F)(F)CNC(=O)OC(C)(C)C)C1
InChIInChI=1S/C15H28F2N2O2/c1-11-6-5-7-12(8-11)18-9-15(16,17)10-19-13(20)21-14(2,3)4/h11-12,18H,5-10H2,1-4H3,(H,19,20)
InChIKeyNPCSLVVHIYSYGZ-UHFFFAOYSA-N
MW306.40 g/mol
LogP3.31
Rot. Bonds5

About tert-butyl N-[2,2-difluoro-3-[(3-methylcyclohexyl)amino]propyl]carbamate

tert-butyl N-[2,2-difluoro-3-[(3-methylcyclohexyl)amino]propyl]carbamate (PubChem CID 107257517) has the molecular formula C15H28F2N2O2 and a molecular weight of 306.40 g/mol. Its IUPAC name is tert-butyl N-[2,2-difluoro-3-[(3-methylcyclohexyl)amino]propyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2,2-difluoro-3-[(3-methylcyclohexyl)amino]propyl]carbamate
PubChem CID107257517
Molecular FormulaC15H28F2N2O2
Molecular Weight306.40 g/mol
Exact Mass306.21
IUPAC Nametert-butyl N-[2,2-difluoro-3-[(3-methylcyclohexyl)amino]propyl]carbamate
SMILESCC1CCCC(NCC(F)(F)CNC(=O)OC(C)(C)C)C1
InChIInChI=1S/C15H28F2N2O2/c1-11-6-5-7-12(8-11)18-9-15(16,17)10-19-13(20)21-14(2,3)4/h11-12,18H,5-10H2,1-4H3,(H,19,20)
InChIKeyNPCSLVVHIYSYGZ-UHFFFAOYSA-N
XLogP3.31
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.40
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[2,2-difluoro-3-[(4-methylcycloheptyl)amino]propyl]carbamate
CID 107257414
tert-butyl N-[3-(cycloheptylamino)-2,2-difluoropropyl]carbamate
CID 107257366
tert-butyl N-[3-[(3-aminocyclopentyl)amino]-2,2-difluoropropyl]carbamate
CID 107257482
tert-butyl N-[3-[(1-acetylpiperidin-4-yl)amino]-2,2-difluoropropyl]carbamate
CID 104953969
tert-butyl N-[2,2-difluoro-3-[(1-prop-2-ynylpiperidin-4-yl)amino]propyl]carbamate
CID 104955545
tert-butyl N-[3-[(3-methylcyclopentyl)amino]propyl]carbamate
CID 115653280
tert-butyl N-[[(1R,3S)-3-methylcyclohexyl]methyl]carbamate
CID 171338256
tert-butyl N-[3-(1-cyclohexylethylamino)-2,2-difluoropropyl]carbamate
CID 107257467
tert-butyl N-[4-methyl-2-[(3-methylcyclohexyl)amino]pentyl]carbamate
CID 107252163
2-methyl-1-[[(1R,3S)-3-methylcyclohexyl]amino]propan-2-ol
CID 93346375
tert-butyl N-[3-(dicyclopropylmethylamino)-2,2-difluoropropyl]carbamate
CID 104955558
tert-butyl N-[1-[(3-methoxycyclohexyl)amino]-2-methylpropan-2-yl]carbamate
CID 104624820

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2,2-difluoro-3-[(3-methylcyclohexyl)amino]propyl]carbamate?
The IUPAC name of tert-butyl N-[2,2-difluoro-3-[(3-methylcyclohexyl)amino]propyl]carbamate (CID 107257517) is tert-butyl N-[2,2-difluoro-3-[(3-methylcyclohexyl)amino]propyl]carbamate.
What is the SMILES notation for tert-butyl N-[2,2-difluoro-3-[(3-methylcyclohexyl)amino]propyl]carbamate?
The canonical SMILES for tert-butyl N-[2,2-difluoro-3-[(3-methylcyclohexyl)amino]propyl]carbamate is CC1CCCC(NCC(F)(F)CNC(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl N-[2,2-difluoro-3-[(3-methylcyclohexyl)amino]propyl]carbamate?
The InChIKey is NPCSLVVHIYSYGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28F2N2O2/c1-11-6-5-7-12(8-11)18-9-15(16,17)10-19-13(20)21-14(2,3)4/h11-12,18H,5-10H2,1-4H3,(H,19,20).
What are the key properties of tert-butyl N-[2,2-difluoro-3-[(3-methylcyclohexyl)amino]propyl]carbamate?
tert-butyl N-[2,2-difluoro-3-[(3-methylcyclohexyl)amino]propyl]carbamate has a molecular weight of 306.40 g/mol, XLogP of 3.31, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2,2-difluoro-3-[(3-methylcyclohexyl)amino]propyl]carbamate is sourced from PubChem (CID 107257517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).