tert-butyl N-(4-amino-5-cyclohexyl-2,2-difluoro-3-hydroxypentyl)carbamate

C16H30F2N2O3 — CID 14836443

IUPACtert-butyl N-(4-amino-5-cyclohexyl-2,2-difluoro-3-hydroxypentyl)carbamate
SMILESCC(C)(C)OC(=O)NCC(F)(F)C(O)C(N)CC1CCCCC1
InChIInChI=1S/C16H30F2N2O3/c1-15(2,3)23-14(22)20-10-16(17,18)13(21)12(19)9-11-7-5-4-6-8-11/h11-13,21H,4-10,19H2,1-3H3,(H,20,22)
InChIKeyQCEUFYOJPYTQLE-UHFFFAOYSA-N
MW336.42 g/mol
LogP2.81
Rot. Bonds6

About tert-butyl N-(4-amino-5-cyclohexyl-2,2-difluoro-3-hydroxypentyl)carbamate

tert-butyl N-(4-amino-5-cyclohexyl-2,2-difluoro-3-hydroxypentyl)carbamate (PubChem CID 14836443) has the molecular formula C16H30F2N2O3 and a molecular weight of 336.42 g/mol. Its IUPAC name is tert-butyl N-(4-amino-5-cyclohexyl-2,2-difluoro-3-hydroxypentyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(4-amino-5-cyclohexyl-2,2-difluoro-3-hydroxypentyl)carbamate
PubChem CID14836443
Molecular FormulaC16H30F2N2O3
Molecular Weight336.42 g/mol
Exact Mass336.22
IUPAC Nametert-butyl N-(4-amino-5-cyclohexyl-2,2-difluoro-3-hydroxypentyl)carbamate
SMILESCC(C)(C)OC(=O)NCC(F)(F)C(O)C(N)CC1CCCCC1
InChIInChI=1S/C16H30F2N2O3/c1-15(2,3)23-14(22)20-10-16(17,18)13(21)12(19)9-11-7-5-4-6-8-11/h11-13,21H,4-10,19H2,1-3H3,(H,20,22)
InChIKeyQCEUFYOJPYTQLE-UHFFFAOYSA-N
XLogP2.81
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.42
LogP ≤ 52.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(S)-(-)-2-(tert-Butoxycarbonylamino)-3-cyclohexyl-1-propanol
CID 11043405
tert-butyl [(1R,2R)-2-(hydroxymethyl)cyclohexyl]carbamate
CID 59007582
N-Boc-L-cyclohexylglycinol
CID 16217740
(2S,3R,4S)-2-[(tert-Butyloxycarbonyl)amino]-1-cyclohexyl-3,4-dihydroxy-6-methylheptane
CID 9974740
N-Boc-D-cyclohexylglycinol
CID 12194289
Cis-(2-Hydroxymethyl-Cyclohexyl)-Carbamic Acid Tert-Butyl Ester
CID 54488680
(R)-N-Boc-2-cyclohexylethanolamine
CID 11021104
Tert-butyl N-(1-cyclohexyl-2-hydroxyethyl)carbamate
CID 22037861
tert-butyl N-[(1S)-2-(hydroxymethyl)cyclohexyl]carbamate
CID 69588792
tert-butyl N-[(2S,3R)-1-cyclohexyl-4,4-difluoro-3-hydroxy-5-(methylamino)-5-oxopentan-2-yl]carbamate
CID 13825244
tert-butyl N-(4-amino-2,2-difluoro-3-hydroxy-5-methylhexyl)carbamate
CID 14720037
2-methylpropyl N-(4-amino-2,2-difluoro-3-hydroxy-6-methylheptyl)carbamate
CID 14720114

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(4-amino-5-cyclohexyl-2,2-difluoro-3-hydroxypentyl)carbamate?
The IUPAC name of tert-butyl N-(4-amino-5-cyclohexyl-2,2-difluoro-3-hydroxypentyl)carbamate (CID 14836443) is tert-butyl N-(4-amino-5-cyclohexyl-2,2-difluoro-3-hydroxypentyl)carbamate.
What is the SMILES notation for tert-butyl N-(4-amino-5-cyclohexyl-2,2-difluoro-3-hydroxypentyl)carbamate?
The canonical SMILES for tert-butyl N-(4-amino-5-cyclohexyl-2,2-difluoro-3-hydroxypentyl)carbamate is CC(C)(C)OC(=O)NCC(F)(F)C(O)C(N)CC1CCCCC1.
What is the InChIKey of tert-butyl N-(4-amino-5-cyclohexyl-2,2-difluoro-3-hydroxypentyl)carbamate?
The InChIKey is QCEUFYOJPYTQLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30F2N2O3/c1-15(2,3)23-14(22)20-10-16(17,18)13(21)12(19)9-11-7-5-4-6-8-11/h11-13,21H,4-10,19H2,1-3H3,(H,20,22).
What are the key properties of tert-butyl N-(4-amino-5-cyclohexyl-2,2-difluoro-3-hydroxypentyl)carbamate?
tert-butyl N-(4-amino-5-cyclohexyl-2,2-difluoro-3-hydroxypentyl)carbamate has a molecular weight of 336.42 g/mol, XLogP of 2.81, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(4-amino-5-cyclohexyl-2,2-difluoro-3-hydroxypentyl)carbamate is sourced from PubChem (CID 14836443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).