N-(3-cyclohexyl-2-fluoropropyl)-2-methylpropan-2-amine

C13H26FN — CID 107446536

IUPACN-(3-cyclohexyl-2-fluoropropyl)-2-methylpropan-2-amine
SMILESCC(C)(C)NCC(F)CC1CCCCC1
InChIInChI=1S/C13H26FN/c1-13(2,3)15-10-12(14)9-11-7-5-4-6-8-11/h11-12,15H,4-10H2,1-3H3
InChIKeyPJKHTMZOJFFXBA-UHFFFAOYSA-N
MW215.36 g/mol
LogP3.68
Rot. Bonds4

About N-(3-cyclohexyl-2-fluoropropyl)-2-methylpropan-2-amine

N-(3-cyclohexyl-2-fluoropropyl)-2-methylpropan-2-amine (PubChem CID 107446536) has the molecular formula C13H26FN and a molecular weight of 215.36 g/mol. Its IUPAC name is N-(3-cyclohexyl-2-fluoropropyl)-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-(3-cyclohexyl-2-fluoropropyl)-2-methylpropan-2-amine
PubChem CID107446536
Molecular FormulaC13H26FN
Molecular Weight215.36 g/mol
Exact Mass215.20
IUPAC NameN-(3-cyclohexyl-2-fluoropropyl)-2-methylpropan-2-amine
SMILESCC(C)(C)NCC(F)CC1CCCCC1
InChIInChI=1S/C13H26FN/c1-13(2,3)15-10-12(14)9-11-7-5-4-6-8-11/h11-12,15H,4-10H2,1-3H3
InChIKeyPJKHTMZOJFFXBA-UHFFFAOYSA-N
XLogP3.68
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.36
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(2-cycloheptyl-2-fluoroethyl)-2-methylpropan-2-amine
CID 107446700
(2R)-3-cyclopentyl-2-fluoro-N-methylpropan-1-amine
CID 129462680
N-tert-butyl-2-(cyclopentylmethyl)-3-methylbutan-1-amine
CID 63522044
N-(cyclohexylmethyl)-2-methylpropan-2-amine;methane
CID 159032634
(2R)-3-cyclopentyl-2-fluoropropan-1-ol
CID 129375583
N-[3-cyclopentyl-2-(4-methylphenyl)propyl]-2-methylpropan-2-amine
CID 79436169
N'-tert-butyl-2-fluoropropane-1,3-diamine
CID 130349943
1-(tert-butylamino)-3-(cyclopentylmethylsulfonyl)propan-2-ol
CID 115476793
N-tert-butyl-2-(2-cyclopentylethyl)-4-methylpentan-1-amine
CID 114192485
N-tert-butyl-2-fluoro-4-methylpentan-1-amine
CID 107446526
N-tert-butyl-2-cyclopentyl-5,5-dimethylhexan-1-amine
CID 112570105
3-cyclohexyl-1,1-difluoro-N-methylpropan-2-amine
CID 80604795

Frequently Asked Questions

What is the IUPAC name of N-(3-cyclohexyl-2-fluoropropyl)-2-methylpropan-2-amine?
The IUPAC name of N-(3-cyclohexyl-2-fluoropropyl)-2-methylpropan-2-amine (CID 107446536) is N-(3-cyclohexyl-2-fluoropropyl)-2-methylpropan-2-amine.
What is the SMILES notation for N-(3-cyclohexyl-2-fluoropropyl)-2-methylpropan-2-amine?
The canonical SMILES for N-(3-cyclohexyl-2-fluoropropyl)-2-methylpropan-2-amine is CC(C)(C)NCC(F)CC1CCCCC1.
What is the InChIKey of N-(3-cyclohexyl-2-fluoropropyl)-2-methylpropan-2-amine?
The InChIKey is PJKHTMZOJFFXBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26FN/c1-13(2,3)15-10-12(14)9-11-7-5-4-6-8-11/h11-12,15H,4-10H2,1-3H3.
What are the key properties of N-(3-cyclohexyl-2-fluoropropyl)-2-methylpropan-2-amine?
N-(3-cyclohexyl-2-fluoropropyl)-2-methylpropan-2-amine has a molecular weight of 215.36 g/mol, XLogP of 3.68, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyclohexyl-2-fluoropropyl)-2-methylpropan-2-amine is sourced from PubChem (CID 107446536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).