[1-(1-fluorocyclohexyl)-1-(methylamino)propan-2-yl]carbamic acid

C11H21FN2O2 — CID 69263028

IUPAC[1-(1-fluorocyclohexyl)-1-(methylamino)propan-2-yl]carbamic acid
SMILESCNC(C(C)NC(=O)O)C1(F)CCCCC1
InChIInChI=1S/C11H21FN2O2/c1-8(14-10(15)16)9(13-2)11(12)6-4-3-5-7-11/h8-9,13-14H,3-7H2,1-2H3,(H,15,16)
InChIKeyNIYMELRPQCWDGJ-UHFFFAOYSA-N
MW232.30 g/mol
LogP1.90
Rot. Bonds4

About [1-(1-fluorocyclohexyl)-1-(methylamino)propan-2-yl]carbamic acid

[1-(1-fluorocyclohexyl)-1-(methylamino)propan-2-yl]carbamic acid (PubChem CID 69263028) has the molecular formula C11H21FN2O2 and a molecular weight of 232.30 g/mol. Its IUPAC name is [1-(1-fluorocyclohexyl)-1-(methylamino)propan-2-yl]carbamic acid.

Molecular Properties

Compound Name[1-(1-fluorocyclohexyl)-1-(methylamino)propan-2-yl]carbamic acid
PubChem CID69263028
Molecular FormulaC11H21FN2O2
Molecular Weight232.30 g/mol
Exact Mass232.16
IUPAC Name[1-(1-fluorocyclohexyl)-1-(methylamino)propan-2-yl]carbamic acid
SMILESCNC(C(C)NC(=O)O)C1(F)CCCCC1
InChIInChI=1S/C11H21FN2O2/c1-8(14-10(15)16)9(13-2)11(12)6-4-3-5-7-11/h8-9,13-14H,3-7H2,1-2H3,(H,15,16)
InChIKeyNIYMELRPQCWDGJ-UHFFFAOYSA-N
XLogP1.90
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.30
LogP ≤ 51.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

cyclopentane;propan-2-ylcarbamic acid
CID 169143516
[1-(1-fluorocyclohexyl)-3-(methylamino)propan-2-yl]carbamic acid
CID 68713570
methyl 2-amino-2-(1-fluorocyclohexyl)acetate
CID 13204388
1-(1-methoxycyclohexyl)-N,2-dimethylpropan-1-amine
CID 116762957
1-fluoro-N-propan-2-ylcyclopropane-1-carboxamide
CID 149339132
[1-(methylamino)-3-(1-methylcyclohexyl)propan-2-yl]carbamic acid
CID 123916834
(2S)-2-(methylamino)-2-(1-methylcyclohexyl)acetic acid;hydrochloride
CID 69433180
2-methyl-3-[(1-methylcyclohexyl)amino]butanoic acid
CID 103718946
2-[(1-methylcyclohexanecarbonyl)amino]propanoic acid
CID 21354705
ethyl 2-(1-fluorocyclopentyl)-2-hydroxyacetate
CID 12728534
2-(methylamino)-2-(1-methylcyclopentyl)acetic acid
CID 130965432
1-bromo-N-propan-2-ylcyclohexane-1-carboxamide
CID 117059753

Frequently Asked Questions

What is the IUPAC name of [1-(1-fluorocyclohexyl)-1-(methylamino)propan-2-yl]carbamic acid?
The IUPAC name of [1-(1-fluorocyclohexyl)-1-(methylamino)propan-2-yl]carbamic acid (CID 69263028) is [1-(1-fluorocyclohexyl)-1-(methylamino)propan-2-yl]carbamic acid.
What is the SMILES notation for [1-(1-fluorocyclohexyl)-1-(methylamino)propan-2-yl]carbamic acid?
The canonical SMILES for [1-(1-fluorocyclohexyl)-1-(methylamino)propan-2-yl]carbamic acid is CNC(C(C)NC(=O)O)C1(F)CCCCC1.
What is the InChIKey of [1-(1-fluorocyclohexyl)-1-(methylamino)propan-2-yl]carbamic acid?
The InChIKey is NIYMELRPQCWDGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21FN2O2/c1-8(14-10(15)16)9(13-2)11(12)6-4-3-5-7-11/h8-9,13-14H,3-7H2,1-2H3,(H,15,16).
What are the key properties of [1-(1-fluorocyclohexyl)-1-(methylamino)propan-2-yl]carbamic acid?
[1-(1-fluorocyclohexyl)-1-(methylamino)propan-2-yl]carbamic acid has a molecular weight of 232.30 g/mol, XLogP of 1.90, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1-fluorocyclohexyl)-1-(methylamino)propan-2-yl]carbamic acid is sourced from PubChem (CID 69263028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).