N-[(3,3-difluorocyclopentyl)methyl]-2,2-dimethylpropan-1-amine

C11H21F2N — CID 166571103

IUPACN-[(3,3-difluorocyclopentyl)methyl]-2,2-dimethylpropan-1-amine
SMILESCC(C)(C)CNCC1CCC(F)(F)C1
InChIInChI=1S/C11H21F2N/c1-10(2,3)8-14-7-9-4-5-11(12,13)6-9/h9,14H,4-8H2,1-3H3
InChIKeyLPLIVOVWOWYRCU-UHFFFAOYSA-N
MW205.29 g/mol
LogP3.06
Rot. Bonds3

About N-[(3,3-difluorocyclopentyl)methyl]-2,2-dimethylpropan-1-amine

N-[(3,3-difluorocyclopentyl)methyl]-2,2-dimethylpropan-1-amine (PubChem CID 166571103) has the molecular formula C11H21F2N and a molecular weight of 205.29 g/mol. Its IUPAC name is N-[(3,3-difluorocyclopentyl)methyl]-2,2-dimethylpropan-1-amine.

Molecular Properties

Compound NameN-[(3,3-difluorocyclopentyl)methyl]-2,2-dimethylpropan-1-amine
PubChem CID166571103
Molecular FormulaC11H21F2N
Molecular Weight205.29 g/mol
Exact Mass205.16
IUPAC NameN-[(3,3-difluorocyclopentyl)methyl]-2,2-dimethylpropan-1-amine
SMILESCC(C)(C)CNCC1CCC(F)(F)C1
InChIInChI=1S/C11H21F2N/c1-10(2,3)8-14-7-9-4-5-11(12,13)6-9/h9,14H,4-8H2,1-3H3
InChIKeyLPLIVOVWOWYRCU-UHFFFAOYSA-N
XLogP3.06
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.29
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[(3,3-Difluorocyclopentyl)methyl](methyl)aminehydrochloride
CID 165660772
N-(Cyclopentylmethyl)propan-1-amine
CID 43163755
1,2-difluoro-N-(3-methylpentyl)hexan-1-amine
CID 22348799
1,6-difluoro-N-(4-methylpentyl)hexan-1-amine
CID 22349072
3-ethyl-N-(1,1,2,2,2-pentafluoroethyl)heptan-1-amine
CID 22637491
(2R)-5-methyl-N-(2,2,2-trifluoroethyl)hexan-2-amine
CID 28371045
5-methyl-N-(2,2,2-trifluoroethyl)hexan-2-amine
CID 43185242
2-methyl-N-(2,2,2-trifluoroethyl)pentan-1-amine
CID 43200466
N-methyl-1-[3-(trifluoromethyl)cyclopentyl]methanamine
CID 53924567
(3R)-3-(2,2-dimethylpropyl)-4-fluoropyrrolidine
CID 58473034
(3R,4R)-3-(2,2-dimethylpropyl)-4-fluoropyrrolidine
CID 58473063
N-(cyclopentylmethyl)-2,2-difluoroethanamine
CID 60922659

Frequently Asked Questions

What is the IUPAC name of N-[(3,3-difluorocyclopentyl)methyl]-2,2-dimethylpropan-1-amine?
The IUPAC name of N-[(3,3-difluorocyclopentyl)methyl]-2,2-dimethylpropan-1-amine (CID 166571103) is N-[(3,3-difluorocyclopentyl)methyl]-2,2-dimethylpropan-1-amine.
What is the SMILES notation for N-[(3,3-difluorocyclopentyl)methyl]-2,2-dimethylpropan-1-amine?
The canonical SMILES for N-[(3,3-difluorocyclopentyl)methyl]-2,2-dimethylpropan-1-amine is CC(C)(C)CNCC1CCC(F)(F)C1.
What is the InChIKey of N-[(3,3-difluorocyclopentyl)methyl]-2,2-dimethylpropan-1-amine?
The InChIKey is LPLIVOVWOWYRCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F2N/c1-10(2,3)8-14-7-9-4-5-11(12,13)6-9/h9,14H,4-8H2,1-3H3.
What are the key properties of N-[(3,3-difluorocyclopentyl)methyl]-2,2-dimethylpropan-1-amine?
N-[(3,3-difluorocyclopentyl)methyl]-2,2-dimethylpropan-1-amine has a molecular weight of 205.29 g/mol, XLogP of 3.06, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,3-difluorocyclopentyl)methyl]-2,2-dimethylpropan-1-amine is sourced from PubChem (CID 166571103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).