N-[(1-fluorocyclopropyl)methyl]-4,4-dimethylcyclohexan-1-amine

C12H22FN — CID 126988189

IUPACN-[(1-fluorocyclopropyl)methyl]-4,4-dimethylcyclohexan-1-amine
SMILESCC1(C)CCC(NCC2(F)CC2)CC1
InChIInChI=1S/C12H22FN/c1-11(2)5-3-10(4-6-11)14-9-12(13)7-8-12/h10,14H,3-9H2,1-2H3
InChIKeyQXOIFDMUBTWYHI-UHFFFAOYSA-N
MW199.31 g/mol
LogP3.05
Rot. Bonds3

About N-[(1-fluorocyclopropyl)methyl]-4,4-dimethylcyclohexan-1-amine

N-[(1-fluorocyclopropyl)methyl]-4,4-dimethylcyclohexan-1-amine (PubChem CID 126988189) has the molecular formula C12H22FN and a molecular weight of 199.31 g/mol. Its IUPAC name is N-[(1-fluorocyclopropyl)methyl]-4,4-dimethylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[(1-fluorocyclopropyl)methyl]-4,4-dimethylcyclohexan-1-amine
PubChem CID126988189
Molecular FormulaC12H22FN
Molecular Weight199.31 g/mol
Exact Mass199.17
IUPAC NameN-[(1-fluorocyclopropyl)methyl]-4,4-dimethylcyclohexan-1-amine
SMILESCC1(C)CCC(NCC2(F)CC2)CC1
InChIInChI=1S/C12H22FN/c1-11(2)5-3-10(4-6-11)14-9-12(13)7-8-12/h10,14H,3-9H2,1-2H3
InChIKeyQXOIFDMUBTWYHI-UHFFFAOYSA-N
XLogP3.05
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.31
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(1-fluorocyclopropyl)methyl]cyclopropanamine
CID 126994044
4-N-[(1-fluorocyclopropyl)methyl]cyclohexane-1,4-diamine
CID 130834768
N-[(1-fluorocyclobutyl)methyl]-4-methylcyclohexan-1-amine
CID 130725463
N-[(1-fluorocyclopropyl)methyl]-2,2-dimethylcyclobutan-1-amine
CID 130614791
4,4-dimethyl-N-[(1-methylsulfanylcyclobutyl)methyl]cyclohexan-1-amine
CID 107267245
4-[(cyclobutylamino)methyl]-4-fluorocyclohexan-1-amine
CID 105453109
N-(3-fluoropropyl)-4,4-dimethylcyclohexan-1-amine
CID 81105240
N-[(1-fluorocyclobutyl)methyl]-3-methylcyclopentan-1-amine
CID 130747190
N-(2,2-dimethylpropyl)-4,4-dimethylcyclohexan-1-amine
CID 58172158
N-[(1-fluorocyclopropyl)methyl]-1-(2-phenylethyl)piperidin-4-amine
CID 136538799
4,4-dimethyl-N-(5,5,5-trifluoropentyl)cyclohexan-1-amine
CID 115491425
3,3-dimethyl-N-[(4-methylpiperidin-4-yl)methyl]cyclopentan-1-amine
CID 114547529

Frequently Asked Questions

What is the IUPAC name of N-[(1-fluorocyclopropyl)methyl]-4,4-dimethylcyclohexan-1-amine?
The IUPAC name of N-[(1-fluorocyclopropyl)methyl]-4,4-dimethylcyclohexan-1-amine (CID 126988189) is N-[(1-fluorocyclopropyl)methyl]-4,4-dimethylcyclohexan-1-amine.
What is the SMILES notation for N-[(1-fluorocyclopropyl)methyl]-4,4-dimethylcyclohexan-1-amine?
The canonical SMILES for N-[(1-fluorocyclopropyl)methyl]-4,4-dimethylcyclohexan-1-amine is CC1(C)CCC(NCC2(F)CC2)CC1.
What is the InChIKey of N-[(1-fluorocyclopropyl)methyl]-4,4-dimethylcyclohexan-1-amine?
The InChIKey is QXOIFDMUBTWYHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22FN/c1-11(2)5-3-10(4-6-11)14-9-12(13)7-8-12/h10,14H,3-9H2,1-2H3.
What are the key properties of N-[(1-fluorocyclopropyl)methyl]-4,4-dimethylcyclohexan-1-amine?
N-[(1-fluorocyclopropyl)methyl]-4,4-dimethylcyclohexan-1-amine has a molecular weight of 199.31 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-fluorocyclopropyl)methyl]-4,4-dimethylcyclohexan-1-amine is sourced from PubChem (CID 126988189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).