3-cyclopropyl-1,1,1-trifluoro-N-propylpropan-2-amine

C9H16F3N — CID 115692645

IUPAC3-cyclopropyl-1,1,1-trifluoro-N-propylpropan-2-amine
SMILESCCCNC(CC1CC1)C(F)(F)F
InChIInChI=1S/C9H16F3N/c1-2-5-13-8(9(10,11)12)6-7-3-4-7/h7-8,13H,2-6H2,1H3
InChIKeyMHKRIPNCOHUWIQ-UHFFFAOYSA-N
MW195.23 g/mol
LogP2.72
Rot. Bonds5

About 3-cyclopropyl-1,1,1-trifluoro-N-propylpropan-2-amine

3-cyclopropyl-1,1,1-trifluoro-N-propylpropan-2-amine (PubChem CID 115692645) has the molecular formula C9H16F3N and a molecular weight of 195.23 g/mol. Its IUPAC name is 3-cyclopropyl-1,1,1-trifluoro-N-propylpropan-2-amine.

Molecular Properties

Compound Name3-cyclopropyl-1,1,1-trifluoro-N-propylpropan-2-amine
PubChem CID115692645
Molecular FormulaC9H16F3N
Molecular Weight195.23 g/mol
Exact Mass195.12
IUPAC Name3-cyclopropyl-1,1,1-trifluoro-N-propylpropan-2-amine
SMILESCCCNC(CC1CC1)C(F)(F)F
InChIInChI=1S/C9H16F3N/c1-2-5-13-8(9(10,11)12)6-7-3-4-7/h7-8,13H,2-6H2,1H3
InChIKeyMHKRIPNCOHUWIQ-UHFFFAOYSA-N
XLogP2.72
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.23
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-cyclopropyl-3-methoxy-3-methyl-N-propylbutan-2-amine
CID 79198161
3-(azepan-1-yl)-1-cyclopropyl-3-methyl-N-propylbutan-2-amine
CID 79051842
(2S)-1,1,1-trifluoro-3-iodo-N-propylpropan-2-amine
CID 159756276
1-cyclopentyl-3-methoxy-3-methyl-N-propylbutan-2-amine
CID 79196998
N-propyl-1-[4-(trifluoromethyl)cyclohexyl]prop-2-en-1-amine
CID 105161359
N-[2-cyclopentyl-1-[4-(trifluoromethyl)cyclohexyl]ethyl]propan-1-amine
CID 105139109
1-cyclohexyl-3,3,3-trifluoro-N-propyl-2-(trifluoromethyl)propan-1-amine
CID 103311644
1-cyclobutyl-3-methyl-3-methylsulfonyl-N-propylbutan-2-amine
CID 115863401
1,1,1-trifluoro-N-propylheptan-2-amine
CID 66205587
1-cyclopentyl-4,4,4-trifluoro-N-propylbutan-2-amine
CID 62604821
1-(4-ethylcyclohexyl)-3,3,3-trifluoro-N-propylpropan-1-amine
CID 64776046
1-cyclopropyl-4-methyl-N-propylpentan-2-amine
CID 64903821

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-1,1,1-trifluoro-N-propylpropan-2-amine?
The IUPAC name of 3-cyclopropyl-1,1,1-trifluoro-N-propylpropan-2-amine (CID 115692645) is 3-cyclopropyl-1,1,1-trifluoro-N-propylpropan-2-amine.
What is the SMILES notation for 3-cyclopropyl-1,1,1-trifluoro-N-propylpropan-2-amine?
The canonical SMILES for 3-cyclopropyl-1,1,1-trifluoro-N-propylpropan-2-amine is CCCNC(CC1CC1)C(F)(F)F.
What is the InChIKey of 3-cyclopropyl-1,1,1-trifluoro-N-propylpropan-2-amine?
The InChIKey is MHKRIPNCOHUWIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3N/c1-2-5-13-8(9(10,11)12)6-7-3-4-7/h7-8,13H,2-6H2,1H3.
What are the key properties of 3-cyclopropyl-1,1,1-trifluoro-N-propylpropan-2-amine?
3-cyclopropyl-1,1,1-trifluoro-N-propylpropan-2-amine has a molecular weight of 195.23 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-1,1,1-trifluoro-N-propylpropan-2-amine is sourced from PubChem (CID 115692645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).