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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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).