N-(cyclohexylmethyl)-2,2,4,4-tetrafluoropentan-1-amine

C12H21F4N — CID 158786871

IUPACN-(cyclohexylmethyl)-2,2,4,4-tetrafluoropentan-1-amine
SMILESCC(F)(F)CC(F)(F)CNCC1CCCCC1
InChIInChI=1S/C12H21F4N/c1-11(13,14)8-12(15,16)9-17-7-10-5-3-2-4-6-10/h10,17H,2-9H2,1H3
InChIKeyBIMNGRVNZITRLC-UHFFFAOYSA-N
MW255.30 g/mol
LogP3.84
Rot. Bonds6

About N-(cyclohexylmethyl)-2,2,4,4-tetrafluoropentan-1-amine

N-(cyclohexylmethyl)-2,2,4,4-tetrafluoropentan-1-amine (PubChem CID 158786871) has the molecular formula C12H21F4N and a molecular weight of 255.30 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-2,2,4,4-tetrafluoropentan-1-amine.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-2,2,4,4-tetrafluoropentan-1-amine
PubChem CID158786871
Molecular FormulaC12H21F4N
Molecular Weight255.30 g/mol
Exact Mass255.16
IUPAC NameN-(cyclohexylmethyl)-2,2,4,4-tetrafluoropentan-1-amine
SMILESCC(F)(F)CC(F)(F)CNCC1CCCCC1
InChIInChI=1S/C12H21F4N/c1-11(13,14)8-12(15,16)9-17-7-10-5-3-2-4-6-10/h10,17H,2-9H2,1H3
InChIKeyBIMNGRVNZITRLC-UHFFFAOYSA-N
XLogP3.84
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.30
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(cyclohexylmethylamino)-2,2-difluoropropan-1-ol
CID 104857665
N-(cyclohexylmethyl)-2-methoxy-2-methylpropan-1-amine
CID 115757000
3-(cyclopentylmethylamino)-2,2-difluoropropane-1-sulfinic acid
CID 58691837
3-(cycloheptylmethylamino)-2,2-dimethylpropanenitrile
CID 104587106
3-(cyclopentylmethylamino)-2-methylpropane-1,2-diol
CID 66171290
N-(cycloheptylmethyl)-2-methyl-2-methylsulfonylpropan-1-amine
CID 79558553
5-(cyclohexylmethylamino)-4,4-dimethylpentan-1-ol
CID 103897688
4-[[(2-cyclopentyl-2-methylpropyl)amino]methyl]cyclohexan-1-ol
CID 115239975
4-[[(2-cyclohexyl-2-methylpropyl)amino]methyl]cyclohexan-1-one
CID 115240315
2,2-difluoro-3-[(1-methylpiperidin-3-yl)methylamino]propan-1-ol
CID 106172829
1-N-(cyclopropylmethyl)-2-methylpropane-1,2-diamine
CID 61264893
2-cyclononyl-N-(cyclononylmethyl)ethanamine
CID 91347612

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-2,2,4,4-tetrafluoropentan-1-amine?
The IUPAC name of N-(cyclohexylmethyl)-2,2,4,4-tetrafluoropentan-1-amine (CID 158786871) is N-(cyclohexylmethyl)-2,2,4,4-tetrafluoropentan-1-amine.
What is the SMILES notation for N-(cyclohexylmethyl)-2,2,4,4-tetrafluoropentan-1-amine?
The canonical SMILES for N-(cyclohexylmethyl)-2,2,4,4-tetrafluoropentan-1-amine is CC(F)(F)CC(F)(F)CNCC1CCCCC1.
What is the InChIKey of N-(cyclohexylmethyl)-2,2,4,4-tetrafluoropentan-1-amine?
The InChIKey is BIMNGRVNZITRLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F4N/c1-11(13,14)8-12(15,16)9-17-7-10-5-3-2-4-6-10/h10,17H,2-9H2,1H3.
What are the key properties of N-(cyclohexylmethyl)-2,2,4,4-tetrafluoropentan-1-amine?
N-(cyclohexylmethyl)-2,2,4,4-tetrafluoropentan-1-amine has a molecular weight of 255.30 g/mol, XLogP of 3.84, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-2,2,4,4-tetrafluoropentan-1-amine is sourced from PubChem (CID 158786871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).