N-[[1-(methylaminomethyl)cyclohexyl]methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine

C14H25F3N2 — CID 62257081

IUPACN-[[1-(methylaminomethyl)cyclohexyl]methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine
SMILESCNCC1(CN(CC(F)(F)F)C2CC2)CCCCC1
InChIInChI=1S/C14H25F3N2/c1-18-9-13(7-3-2-4-8-13)10-19(12-5-6-12)11-14(15,16)17/h12,18H,2-11H2,1H3
InChIKeyPGUPAMXQRHBAQP-UHFFFAOYSA-N
MW278.36 g/mol
LogP3.18
Rot. Bonds6

About N-[[1-(methylaminomethyl)cyclohexyl]methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine

N-[[1-(methylaminomethyl)cyclohexyl]methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine (PubChem CID 62257081) has the molecular formula C14H25F3N2 and a molecular weight of 278.36 g/mol. Its IUPAC name is N-[[1-(methylaminomethyl)cyclohexyl]methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine.

Molecular Properties

Compound NameN-[[1-(methylaminomethyl)cyclohexyl]methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine
PubChem CID62257081
Molecular FormulaC14H25F3N2
Molecular Weight278.36 g/mol
Exact Mass278.20
IUPAC NameN-[[1-(methylaminomethyl)cyclohexyl]methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine
SMILESCNCC1(CN(CC(F)(F)F)C2CC2)CCCCC1
InChIInChI=1S/C14H25F3N2/c1-18-9-13(7-3-2-4-8-13)10-19(12-5-6-12)11-14(15,16)17/h12,18H,2-11H2,1H3
InChIKeyPGUPAMXQRHBAQP-UHFFFAOYSA-N
XLogP3.18
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
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

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(methylaminomethyl)cyclohexyl]methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine?
The IUPAC name of N-[[1-(methylaminomethyl)cyclohexyl]methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine (CID 62257081) is N-[[1-(methylaminomethyl)cyclohexyl]methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine.
What is the SMILES notation for N-[[1-(methylaminomethyl)cyclohexyl]methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine?
The canonical SMILES for N-[[1-(methylaminomethyl)cyclohexyl]methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine is CNCC1(CN(CC(F)(F)F)C2CC2)CCCCC1.
What is the InChIKey of N-[[1-(methylaminomethyl)cyclohexyl]methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine?
The InChIKey is PGUPAMXQRHBAQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25F3N2/c1-18-9-13(7-3-2-4-8-13)10-19(12-5-6-12)11-14(15,16)17/h12,18H,2-11H2,1H3.
What are the key properties of N-[[1-(methylaminomethyl)cyclohexyl]methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine?
N-[[1-(methylaminomethyl)cyclohexyl]methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine has a molecular weight of 278.36 g/mol, XLogP of 3.18, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(methylaminomethyl)cyclohexyl]methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine is sourced from PubChem (CID 62257081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).