N-[2-amino-3-(4,4-difluorocyclohexyl)propyl]-N-methylcarbamate

C11H19F2N2O2- — CID 154458537

IUPACN-[2-amino-3-(4,4-difluorocyclohexyl)propyl]-N-methylcarbamate
SMILESCN(CC(N)CC1CCC(F)(F)CC1)C(=O)[O-]
InChIInChI=1S/C11H20F2N2O2/c1-15(10(16)17)7-9(14)6-8-2-4-11(12,13)5-3-8/h8-9H,2-7,14H2,1H3,(H,16,17)/p-1
InChIKeyAYFJJVFYJSKNNI-UHFFFAOYSA-M
MW249.28 g/mol
LogP0.80
Rot. Bonds4

About N-[2-amino-3-(4,4-difluorocyclohexyl)propyl]-N-methylcarbamate

N-[2-amino-3-(4,4-difluorocyclohexyl)propyl]-N-methylcarbamate (PubChem CID 154458537) has the molecular formula C11H19F2N2O2- and a molecular weight of 249.28 g/mol. Its IUPAC name is N-[2-amino-3-(4,4-difluorocyclohexyl)propyl]-N-methylcarbamate.

Molecular Properties

Compound NameN-[2-amino-3-(4,4-difluorocyclohexyl)propyl]-N-methylcarbamate
PubChem CID154458537
Molecular FormulaC11H19F2N2O2-
Molecular Weight249.28 g/mol
Exact Mass249.14
IUPAC NameN-[2-amino-3-(4,4-difluorocyclohexyl)propyl]-N-methylcarbamate
SMILESCN(CC(N)CC1CCC(F)(F)CC1)C(=O)[O-]
InChIInChI=1S/C11H20F2N2O2/c1-15(10(16)17)7-9(14)6-8-2-4-11(12,13)5-3-8/h8-9H,2-7,14H2,1H3,(H,16,17)/p-1
InChIKeyAYFJJVFYJSKNNI-UHFFFAOYSA-M
XLogP0.80
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.28
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[2-amino-3-(4,4-difluorocyclohexyl)propyl]-N-methylcarbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-2-amino-3-(4,4-difluorocyclohexyl)propanoic acid;hydrochloride
CID 138958473
[(2R)-2-amino-3-(oxolan-3-yl)propyl]-methylcarbamic acid
CID 68708714
methyl (2R)-2-[(4,4-difluorocyclohexyl)methyl]-4-oxopentanoate
CID 152865131
methyl (2S)-2-acetamido-3-(4,4-difluorocyclohexyl)propanoate
CID 138628336
[2-amino-3-(1-fluorocyclohexyl)propyl]-methylcarbamic acid
CID 67191458
3-amino-1-(3,3-difluorocyclopentyl)butan-2-ol
CID 164658398
methyl (2R)-2-amino-2-(4,4-difluorocyclohexyl)acetate
CID 71742057
2-amino-3-(3,3-difluorocyclopentyl)propanamide
CID 130487339
1-N,3-dicyclohexyl-1-N-methylpropane-1,2-diamine
CID 114264928
tert-butyl N-[2-amino-3-(3-fluorocyclobutyl)propyl]-N-methylcarbamate
CID 70328210
(4,4-difluorocyclohexyl)methanol;ethane
CID 162726117
[3-[(4,4-difluorocyclohexyl)methylsulfanyl]-4,4-dimethylpentyl]-methylcarbamic acid
CID 123520583

Frequently Asked Questions

What is the IUPAC name of N-[2-amino-3-(4,4-difluorocyclohexyl)propyl]-N-methylcarbamate?
The IUPAC name of N-[2-amino-3-(4,4-difluorocyclohexyl)propyl]-N-methylcarbamate (CID 154458537) is N-[2-amino-3-(4,4-difluorocyclohexyl)propyl]-N-methylcarbamate.
What is the SMILES notation for N-[2-amino-3-(4,4-difluorocyclohexyl)propyl]-N-methylcarbamate?
The canonical SMILES for N-[2-amino-3-(4,4-difluorocyclohexyl)propyl]-N-methylcarbamate is CN(CC(N)CC1CCC(F)(F)CC1)C(=O)[O-].
What is the InChIKey of N-[2-amino-3-(4,4-difluorocyclohexyl)propyl]-N-methylcarbamate?
The InChIKey is AYFJJVFYJSKNNI-UHFFFAOYSA-M. The full InChI is InChI=1S/C11H20F2N2O2/c1-15(10(16)17)7-9(14)6-8-2-4-11(12,13)5-3-8/h8-9H,2-7,14H2,1H3,(H,16,17)/p-1.
What are the key properties of N-[2-amino-3-(4,4-difluorocyclohexyl)propyl]-N-methylcarbamate?
N-[2-amino-3-(4,4-difluorocyclohexyl)propyl]-N-methylcarbamate has a molecular weight of 249.28 g/mol, XLogP of 0.80, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-amino-3-(4,4-difluorocyclohexyl)propyl]-N-methylcarbamate is sourced from PubChem (CID 154458537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).