N-(3-fluoropropyl)-2,2-dimethylcyclohexan-1-amine

C11H22FN — CID 81107202

IUPACN-(3-fluoropropyl)-2,2-dimethylcyclohexan-1-amine
SMILESCC1(C)CCCCC1NCCCF
InChIInChI=1S/C11H22FN/c1-11(2)7-4-3-6-10(11)13-9-5-8-12/h10,13H,3-9H2,1-2H3
InChIKeyHVVLJLKFNQUOJG-UHFFFAOYSA-N
MW187.30 g/mol
LogP2.90
Rot. Bonds4

About N-(3-fluoropropyl)-2,2-dimethylcyclohexan-1-amine

N-(3-fluoropropyl)-2,2-dimethylcyclohexan-1-amine (PubChem CID 81107202) has the molecular formula C11H22FN and a molecular weight of 187.30 g/mol. Its IUPAC name is N-(3-fluoropropyl)-2,2-dimethylcyclohexan-1-amine.

Molecular Properties

Compound NameN-(3-fluoropropyl)-2,2-dimethylcyclohexan-1-amine
PubChem CID81107202
Molecular FormulaC11H22FN
Molecular Weight187.30 g/mol
Exact Mass187.17
IUPAC NameN-(3-fluoropropyl)-2,2-dimethylcyclohexan-1-amine
SMILESCC1(C)CCCCC1NCCCF
InChIInChI=1S/C11H22FN/c1-11(2)7-4-3-6-10(11)13-9-5-8-12/h10,13H,3-9H2,1-2H3
InChIKeyHVVLJLKFNQUOJG-UHFFFAOYSA-N
XLogP2.90
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.30
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3-fluoropropyl)-2,2-dimethylcyclohexan-1-amine?
The IUPAC name of N-(3-fluoropropyl)-2,2-dimethylcyclohexan-1-amine (CID 81107202) is N-(3-fluoropropyl)-2,2-dimethylcyclohexan-1-amine.
What is the SMILES notation for N-(3-fluoropropyl)-2,2-dimethylcyclohexan-1-amine?
The canonical SMILES for N-(3-fluoropropyl)-2,2-dimethylcyclohexan-1-amine is CC1(C)CCCCC1NCCCF.
What is the InChIKey of N-(3-fluoropropyl)-2,2-dimethylcyclohexan-1-amine?
The InChIKey is HVVLJLKFNQUOJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22FN/c1-11(2)7-4-3-6-10(11)13-9-5-8-12/h10,13H,3-9H2,1-2H3.
What are the key properties of N-(3-fluoropropyl)-2,2-dimethylcyclohexan-1-amine?
N-(3-fluoropropyl)-2,2-dimethylcyclohexan-1-amine has a molecular weight of 187.30 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoropropyl)-2,2-dimethylcyclohexan-1-amine is sourced from PubChem (CID 81107202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).