2-cyclopropyl-2-fluoro-5,5-dimethylhexan-1-amine

C11H22FN — CID 112567040

IUPAC2-cyclopropyl-2-fluoro-5,5-dimethylhexan-1-amine
SMILESCC(C)(C)CCC(F)(CN)C1CC1
InChIInChI=1S/C11H22FN/c1-10(2,3)6-7-11(12,8-13)9-4-5-9/h9H,4-8,13H2,1-3H3
InChIKeyYXXLOLNSOCTPAV-UHFFFAOYSA-N
MW187.30 g/mol
LogP2.89
Rot. Bonds4

About 2-cyclopropyl-2-fluoro-5,5-dimethylhexan-1-amine

2-cyclopropyl-2-fluoro-5,5-dimethylhexan-1-amine (PubChem CID 112567040) has the molecular formula C11H22FN and a molecular weight of 187.30 g/mol. Its IUPAC name is 2-cyclopropyl-2-fluoro-5,5-dimethylhexan-1-amine.

Molecular Properties

Compound Name2-cyclopropyl-2-fluoro-5,5-dimethylhexan-1-amine
PubChem CID112567040
Molecular FormulaC11H22FN
Molecular Weight187.30 g/mol
Exact Mass187.17
IUPAC Name2-cyclopropyl-2-fluoro-5,5-dimethylhexan-1-amine
SMILESCC(C)(C)CCC(F)(CN)C1CC1
InChIInChI=1S/C11H22FN/c1-10(2,3)6-7-11(12,8-13)9-4-5-9/h9H,4-8,13H2,1-3H3
InChIKeyYXXLOLNSOCTPAV-UHFFFAOYSA-N
XLogP2.89
TPSA26.02 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 ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-Cyclohexyl-2-methylpropan-1-amine
CID 19776368
(1-(Cyclopropylmethyl)cyclopentyl)methanamine
CID 82595308
(2-Fluoro-1,2-dimethylcyclohexyl)methanamine
CID 22156459
4-(2,2-difluoro-3,3-dimethylcyclopropyl)-N-iodobutan-2-amine
CID 121451185
4-Fluoro-6,7-dimethyl-2-propan-2-yloctan-1-amine
CID 135252071
(3S)-6-fluoro-N,2,2,3-tetramethyloctan-1-amine
CID 139323907
(3S)-3-[(1R,2S)-2-methyl-1-(trifluoromethyl)cyclopropyl]butan-1-amine
CID 146373949
(5R)-5-fluoro-3,6,6-trimethyloctan-1-amine
CID 146557752
(3,5-Diethyl-1-methylcyclohexyl)-fluoromethanamine
CID 156465163
(2S)-2-[(2R)-2-fluoropropyl]-2,5-dimethylhexan-1-amine
CID 157181251
2-(4-Fluorocyclohexyl)-2-methylpropan-1-amine
CID 163897130
4-(Difluoromethyl)-2-ethyl-2-propylhexan-1-amine
CID 168880811

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-fluoro-5,5-dimethylhexan-1-amine?
The IUPAC name of 2-cyclopropyl-2-fluoro-5,5-dimethylhexan-1-amine (CID 112567040) is 2-cyclopropyl-2-fluoro-5,5-dimethylhexan-1-amine.
What is the SMILES notation for 2-cyclopropyl-2-fluoro-5,5-dimethylhexan-1-amine?
The canonical SMILES for 2-cyclopropyl-2-fluoro-5,5-dimethylhexan-1-amine is CC(C)(C)CCC(F)(CN)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-fluoro-5,5-dimethylhexan-1-amine?
The InChIKey is YXXLOLNSOCTPAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22FN/c1-10(2,3)6-7-11(12,8-13)9-4-5-9/h9H,4-8,13H2,1-3H3.
What are the key properties of 2-cyclopropyl-2-fluoro-5,5-dimethylhexan-1-amine?
2-cyclopropyl-2-fluoro-5,5-dimethylhexan-1-amine has a molecular weight of 187.30 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-fluoro-5,5-dimethylhexan-1-amine is sourced from PubChem (CID 112567040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).