N-(3-pyrrolidin-1-ylpropyl)-3-(trifluoromethyl)cyclohexan-1-amine

C14H25F3N2 — CID 64757364

IUPACN-(3-pyrrolidin-1-ylpropyl)-3-(trifluoromethyl)cyclohexan-1-amine
SMILESFC(F)(F)C1CCCC(NCCCN2CCCC2)C1
InChIInChI=1S/C14H25F3N2/c15-14(16,17)12-5-3-6-13(11-12)18-7-4-10-19-8-1-2-9-19/h12-13,18H,1-11H2
InChIKeyDUKSOTDYVHLFQE-UHFFFAOYSA-N
MW278.36 g/mol
LogP3.18
Rot. Bonds5

About N-(3-pyrrolidin-1-ylpropyl)-3-(trifluoromethyl)cyclohexan-1-amine

N-(3-pyrrolidin-1-ylpropyl)-3-(trifluoromethyl)cyclohexan-1-amine (PubChem CID 64757364) has the molecular formula C14H25F3N2 and a molecular weight of 278.36 g/mol. Its IUPAC name is N-(3-pyrrolidin-1-ylpropyl)-3-(trifluoromethyl)cyclohexan-1-amine.

Molecular Properties

Compound NameN-(3-pyrrolidin-1-ylpropyl)-3-(trifluoromethyl)cyclohexan-1-amine
PubChem CID64757364
Molecular FormulaC14H25F3N2
Molecular Weight278.36 g/mol
Exact Mass278.20
IUPAC NameN-(3-pyrrolidin-1-ylpropyl)-3-(trifluoromethyl)cyclohexan-1-amine
SMILESFC(F)(F)C1CCCC(NCCCN2CCCC2)C1
InChIInChI=1S/C14H25F3N2/c15-14(16,17)12-5-3-6-13(11-12)18-7-4-10-19-8-1-2-9-19/h12-13,18H,1-11H2
InChIKeyDUKSOTDYVHLFQE-UHFFFAOYSA-N
XLogP3.18
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2S,4S)-4-cyclohexyl-2-(trifluoromethyl)pyrrolidine
CID 138040164
3,3,3-Trifluoro-1-(1-methylpyrrolidin-3-yl)propan-1-amine
CID 20763674
N-propan-2-yl-3-(trifluoromethyl)cyclohexan-1-amine
CID 43747479
N-ethyl-3-(trifluoromethyl)cyclohexan-1-amine
CID 43747491
4-[(2,2,2-Trifluoroethylamino)methyl]cyclohexan-1-amine
CID 61151163
4-[1-(2,2,2-Trifluoroethyl)pyrrolidin-2-yl]piperidine
CID 66271308
4-[1-(3,3,3-Trifluoropropyl)pyrrolidin-2-yl]piperidine
CID 66274080
N-[(4,4-Difluorocyclohexyl)methyl]cyclopentanamine
CID 81931123
4-(((R)-3-fluoropyrrolidin-1-yl)methyl)cyclohexanamine
CID 117773949
cis-4-[[(S)-3-Fluoropyrrolidin-1-yl]methyl]cyclohexanamine
CID 117773950
1-(3-methylheptan-4-yl)-N-(2,2,2-trifluoroethyl)pyrrolidin-3-amine
CID 123168308
(5S)-5-butan-2-yl-1-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrrolidin-3-amine
CID 139299048

Frequently Asked Questions

What is the IUPAC name of N-(3-pyrrolidin-1-ylpropyl)-3-(trifluoromethyl)cyclohexan-1-amine?
The IUPAC name of N-(3-pyrrolidin-1-ylpropyl)-3-(trifluoromethyl)cyclohexan-1-amine (CID 64757364) is N-(3-pyrrolidin-1-ylpropyl)-3-(trifluoromethyl)cyclohexan-1-amine.
What is the SMILES notation for N-(3-pyrrolidin-1-ylpropyl)-3-(trifluoromethyl)cyclohexan-1-amine?
The canonical SMILES for N-(3-pyrrolidin-1-ylpropyl)-3-(trifluoromethyl)cyclohexan-1-amine is FC(F)(F)C1CCCC(NCCCN2CCCC2)C1.
What is the InChIKey of N-(3-pyrrolidin-1-ylpropyl)-3-(trifluoromethyl)cyclohexan-1-amine?
The InChIKey is DUKSOTDYVHLFQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25F3N2/c15-14(16,17)12-5-3-6-13(11-12)18-7-4-10-19-8-1-2-9-19/h12-13,18H,1-11H2.
What are the key properties of N-(3-pyrrolidin-1-ylpropyl)-3-(trifluoromethyl)cyclohexan-1-amine?
N-(3-pyrrolidin-1-ylpropyl)-3-(trifluoromethyl)cyclohexan-1-amine has a molecular weight of 278.36 g/mol, XLogP of 3.18, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-pyrrolidin-1-ylpropyl)-3-(trifluoromethyl)cyclohexan-1-amine is sourced from PubChem (CID 64757364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).