N-[(1-ethylpyrrolidin-3-yl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine

C14H25F3N2 — CID 64753659

IUPACN-[(1-ethylpyrrolidin-3-yl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine
SMILESCCN1CCC(CNC2CCC(C(F)(F)F)CC2)C1
InChIInChI=1S/C14H25F3N2/c1-2-19-8-7-11(10-19)9-18-13-5-3-12(4-6-13)14(15,16)17/h11-13,18H,2-10H2,1H3
InChIKeyYKUFVUNTWIKYKH-UHFFFAOYSA-N
MW278.36 g/mol
LogP3.04
Rot. Bonds4

About N-[(1-ethylpyrrolidin-3-yl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine

N-[(1-ethylpyrrolidin-3-yl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine (PubChem CID 64753659) has the molecular formula C14H25F3N2 and a molecular weight of 278.36 g/mol. Its IUPAC name is N-[(1-ethylpyrrolidin-3-yl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine.

Molecular Properties

Compound NameN-[(1-ethylpyrrolidin-3-yl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine
PubChem CID64753659
Molecular FormulaC14H25F3N2
Molecular Weight278.36 g/mol
Exact Mass278.20
IUPAC NameN-[(1-ethylpyrrolidin-3-yl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine
SMILESCCN1CCC(CNC2CCC(C(F)(F)F)CC2)C1
InChIInChI=1S/C14H25F3N2/c1-2-19-8-7-11(10-19)9-18-13-5-3-12(4-6-13)14(15,16)17/h11-13,18H,2-10H2,1H3
InChIKeyYKUFVUNTWIKYKH-UHFFFAOYSA-N
XLogP3.04
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrrolidin-3-yl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine?
The IUPAC name of N-[(1-ethylpyrrolidin-3-yl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine (CID 64753659) is N-[(1-ethylpyrrolidin-3-yl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine.
What is the SMILES notation for N-[(1-ethylpyrrolidin-3-yl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine?
The canonical SMILES for N-[(1-ethylpyrrolidin-3-yl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine is CCN1CCC(CNC2CCC(C(F)(F)F)CC2)C1.
What is the InChIKey of N-[(1-ethylpyrrolidin-3-yl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine?
The InChIKey is YKUFVUNTWIKYKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25F3N2/c1-2-19-8-7-11(10-19)9-18-13-5-3-12(4-6-13)14(15,16)17/h11-13,18H,2-10H2,1H3.
What are the key properties of N-[(1-ethylpyrrolidin-3-yl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine?
N-[(1-ethylpyrrolidin-3-yl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine has a molecular weight of 278.36 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpyrrolidin-3-yl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine is sourced from PubChem (CID 64753659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).