N-(1-pyrrolidin-2-ylpropan-2-yl)-4-(trifluoromethyl)cyclohexan-1-amine

C14H25F3N2 — CID 79541274

IUPACN-(1-pyrrolidin-2-ylpropan-2-yl)-4-(trifluoromethyl)cyclohexan-1-amine
SMILESCC(CC1CCCN1)NC1CCC(C(F)(F)F)CC1
InChIInChI=1S/C14H25F3N2/c1-10(9-13-3-2-8-18-13)19-12-6-4-11(5-7-12)14(15,16)17/h10-13,18-19H,2-9H2,1H3
InChIKeyJCBZIJTXHQBLCE-UHFFFAOYSA-N
MW278.36 g/mol
LogP3.23
Rot. Bonds4

About N-(1-pyrrolidin-2-ylpropan-2-yl)-4-(trifluoromethyl)cyclohexan-1-amine

N-(1-pyrrolidin-2-ylpropan-2-yl)-4-(trifluoromethyl)cyclohexan-1-amine (PubChem CID 79541274) has the molecular formula C14H25F3N2 and a molecular weight of 278.36 g/mol. Its IUPAC name is N-(1-pyrrolidin-2-ylpropan-2-yl)-4-(trifluoromethyl)cyclohexan-1-amine.

Molecular Properties

Compound NameN-(1-pyrrolidin-2-ylpropan-2-yl)-4-(trifluoromethyl)cyclohexan-1-amine
PubChem CID79541274
Molecular FormulaC14H25F3N2
Molecular Weight278.36 g/mol
Exact Mass278.20
IUPAC NameN-(1-pyrrolidin-2-ylpropan-2-yl)-4-(trifluoromethyl)cyclohexan-1-amine
SMILESCC(CC1CCCN1)NC1CCC(C(F)(F)F)CC1
InChIInChI=1S/C14H25F3N2/c1-10(9-13-3-2-8-18-13)19-12-6-4-11(5-7-12)14(15,16)17/h10-13,18-19H,2-9H2,1H3
InChIKeyJCBZIJTXHQBLCE-UHFFFAOYSA-N
XLogP3.23
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-methyl-N-(1-pyrrolidin-2-ylpropan-2-yl)cyclohexan-1-amine
CID 79541223
N-(1-piperidin-2-ylpropan-2-yl)cyclohexanamine
CID 79549011
4,4-dimethyl-N-(1-pyrrolidin-2-ylpropan-2-yl)cyclohexan-1-amine
CID 79541757
N-(1-piperidin-2-ylpropan-2-yl)-4-propylcyclohexan-1-amine
CID 79538652
3,3,3-trifluoro-N-(1-pyrrolidin-2-ylpropan-2-yl)propan-1-amine
CID 79539962
tert-butyl 4-(1-pyrrolidin-2-ylpropan-2-ylamino)azepane-1-carboxylate
CID 107255060
1-cyclopropyl-N-(1-piperidin-2-ylpropan-2-yl)piperidin-4-amine
CID 79538874
1,1-dioxo-N-(1-pyrrolidin-2-ylpropan-2-yl)thian-3-amine
CID 79540198
1-piperidin-2-yl-N-(2,2,2-trifluoroethyl)propan-2-amine
CID 79549593
N-(1-piperidin-2-ylpropan-2-yl)-1-propylpiperidin-4-amine
CID 79549171
2-(1-pyrrolidin-2-ylpropan-2-ylamino)propane-1,3-diol
CID 79540590
N-[(1S)-1-cyclopentylethyl]-1-pyrrolidin-2-ylpropan-2-amine
CID 81386567

Frequently Asked Questions

What is the IUPAC name of N-(1-pyrrolidin-2-ylpropan-2-yl)-4-(trifluoromethyl)cyclohexan-1-amine?
The IUPAC name of N-(1-pyrrolidin-2-ylpropan-2-yl)-4-(trifluoromethyl)cyclohexan-1-amine (CID 79541274) is N-(1-pyrrolidin-2-ylpropan-2-yl)-4-(trifluoromethyl)cyclohexan-1-amine.
What is the SMILES notation for N-(1-pyrrolidin-2-ylpropan-2-yl)-4-(trifluoromethyl)cyclohexan-1-amine?
The canonical SMILES for N-(1-pyrrolidin-2-ylpropan-2-yl)-4-(trifluoromethyl)cyclohexan-1-amine is CC(CC1CCCN1)NC1CCC(C(F)(F)F)CC1.
What is the InChIKey of N-(1-pyrrolidin-2-ylpropan-2-yl)-4-(trifluoromethyl)cyclohexan-1-amine?
The InChIKey is JCBZIJTXHQBLCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25F3N2/c1-10(9-13-3-2-8-18-13)19-12-6-4-11(5-7-12)14(15,16)17/h10-13,18-19H,2-9H2,1H3.
What are the key properties of N-(1-pyrrolidin-2-ylpropan-2-yl)-4-(trifluoromethyl)cyclohexan-1-amine?
N-(1-pyrrolidin-2-ylpropan-2-yl)-4-(trifluoromethyl)cyclohexan-1-amine has a molecular weight of 278.36 g/mol, XLogP of 3.23, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-pyrrolidin-2-ylpropan-2-yl)-4-(trifluoromethyl)cyclohexan-1-amine is sourced from PubChem (CID 79541274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).