N-(fluoromethyl)-4-methyl-N-propylcyclohexan-1-amine

C11H22FN — CID 18538153

IUPACN-(fluoromethyl)-4-methyl-N-propylcyclohexan-1-amine
SMILESCCCN(CF)C1CCC(C)CC1
InChIInChI=1S/C11H22FN/c1-3-8-13(9-12)11-6-4-10(2)5-7-11/h10-11H,3-9H2,1-2H3
InChIKeyUIMDOAYDRUTUMZ-UHFFFAOYSA-N
MW187.30 g/mol
LogP3.20
Rot. Bonds4

About N-(fluoromethyl)-4-methyl-N-propylcyclohexan-1-amine

N-(fluoromethyl)-4-methyl-N-propylcyclohexan-1-amine (PubChem CID 18538153) has the molecular formula C11H22FN and a molecular weight of 187.30 g/mol. Its IUPAC name is N-(fluoromethyl)-4-methyl-N-propylcyclohexan-1-amine.

Molecular Properties

Compound NameN-(fluoromethyl)-4-methyl-N-propylcyclohexan-1-amine
PubChem CID18538153
Molecular FormulaC11H22FN
Molecular Weight187.30 g/mol
Exact Mass187.17
IUPAC NameN-(fluoromethyl)-4-methyl-N-propylcyclohexan-1-amine
SMILESCCCN(CF)C1CCC(C)CC1
InChIInChI=1S/C11H22FN/c1-3-8-13(9-12)11-6-4-10(2)5-7-11/h10-11H,3-9H2,1-2H3
InChIKeyUIMDOAYDRUTUMZ-UHFFFAOYSA-N
XLogP3.20
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.30
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(fluoromethyl)-4-methyl-N-propylcyclohexan-1-amine?
The IUPAC name of N-(fluoromethyl)-4-methyl-N-propylcyclohexan-1-amine (CID 18538153) is N-(fluoromethyl)-4-methyl-N-propylcyclohexan-1-amine.
What is the SMILES notation for N-(fluoromethyl)-4-methyl-N-propylcyclohexan-1-amine?
The canonical SMILES for N-(fluoromethyl)-4-methyl-N-propylcyclohexan-1-amine is CCCN(CF)C1CCC(C)CC1.
What is the InChIKey of N-(fluoromethyl)-4-methyl-N-propylcyclohexan-1-amine?
The InChIKey is UIMDOAYDRUTUMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22FN/c1-3-8-13(9-12)11-6-4-10(2)5-7-11/h10-11H,3-9H2,1-2H3.
What are the key properties of N-(fluoromethyl)-4-methyl-N-propylcyclohexan-1-amine?
N-(fluoromethyl)-4-methyl-N-propylcyclohexan-1-amine has a molecular weight of 187.30 g/mol, XLogP of 3.20, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(fluoromethyl)-4-methyl-N-propylcyclohexan-1-amine is sourced from PubChem (CID 18538153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).