1-cyclopentyl-4,4,4-trifluoro-N-propylbutan-2-amine

C12H22F3N — CID 62604821

IUPAC1-cyclopentyl-4,4,4-trifluoro-N-propylbutan-2-amine
SMILESCCCNC(CC1CCCC1)CC(F)(F)F
InChIInChI=1S/C12H22F3N/c1-2-7-16-11(9-12(13,14)15)8-10-5-3-4-6-10/h10-11,16H,2-9H2,1H3
InChIKeyFQFSSRBIVNEXRT-UHFFFAOYSA-N
MW237.31 g/mol
LogP3.89
Rot. Bonds6

About 1-cyclopentyl-4,4,4-trifluoro-N-propylbutan-2-amine

1-cyclopentyl-4,4,4-trifluoro-N-propylbutan-2-amine (PubChem CID 62604821) has the molecular formula C12H22F3N and a molecular weight of 237.31 g/mol. Its IUPAC name is 1-cyclopentyl-4,4,4-trifluoro-N-propylbutan-2-amine.

Molecular Properties

Compound Name1-cyclopentyl-4,4,4-trifluoro-N-propylbutan-2-amine
PubChem CID62604821
Molecular FormulaC12H22F3N
Molecular Weight237.31 g/mol
Exact Mass237.17
IUPAC Name1-cyclopentyl-4,4,4-trifluoro-N-propylbutan-2-amine
SMILESCCCNC(CC1CCCC1)CC(F)(F)F
InChIInChI=1S/C12H22F3N/c1-2-7-16-11(9-12(13,14)15)8-10-5-3-4-6-10/h10-11,16H,2-9H2,1H3
InChIKeyFQFSSRBIVNEXRT-UHFFFAOYSA-N
XLogP3.89
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.31
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-cyclohexyl-N-propylpentan-2-amine
CID 63413972
1-cyclopentyl-4,4,4-trifluoro-N-methylbutan-2-amine
CID 62603326
1-cyclobutyl-4-cyclopentyl-N-propylbutan-2-amine
CID 115863549
1-cyclopentyl-6,6,6-trifluoro-N-propylhexan-3-amine
CID 104992726
1-cyclopentyl-N-propyldodecan-2-amine
CID 115845917
1-cycloheptyl-5-methyl-N-propylhexan-2-amine
CID 115834105
1-cyclopentyl-4-methyl-N-propylhexan-2-amine
CID 115846282
1-cyclohexyl-N-propylhexan-3-amine
CID 63400154
1-cyclopentyl-N-propylhex-5-en-2-amine
CID 104987521
1-cyclohexyl-4-methylsulfanyl-N-propylbutan-2-amine
CID 105135576
5,5,5-trifluoro-1-(oxan-4-yl)-N-propylpentan-2-amine
CID 79965180
1-cyclopentyl-3-(2-methylpropylsulfanyl)-N-propylpropan-2-amine
CID 65134979

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-4,4,4-trifluoro-N-propylbutan-2-amine?
The IUPAC name of 1-cyclopentyl-4,4,4-trifluoro-N-propylbutan-2-amine (CID 62604821) is 1-cyclopentyl-4,4,4-trifluoro-N-propylbutan-2-amine.
What is the SMILES notation for 1-cyclopentyl-4,4,4-trifluoro-N-propylbutan-2-amine?
The canonical SMILES for 1-cyclopentyl-4,4,4-trifluoro-N-propylbutan-2-amine is CCCNC(CC1CCCC1)CC(F)(F)F.
What is the InChIKey of 1-cyclopentyl-4,4,4-trifluoro-N-propylbutan-2-amine?
The InChIKey is FQFSSRBIVNEXRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F3N/c1-2-7-16-11(9-12(13,14)15)8-10-5-3-4-6-10/h10-11,16H,2-9H2,1H3.
What are the key properties of 1-cyclopentyl-4,4,4-trifluoro-N-propylbutan-2-amine?
1-cyclopentyl-4,4,4-trifluoro-N-propylbutan-2-amine has a molecular weight of 237.31 g/mol, XLogP of 3.89, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-4,4,4-trifluoro-N-propylbutan-2-amine is sourced from PubChem (CID 62604821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).