1-(aminomethyl)-4-methyl-N-propyl-N-(4,4,4-trifluorobutyl)cyclohexan-1-amine

C15H29F3N2 — CID 115513355

IUPAC1-(aminomethyl)-4-methyl-N-propyl-N-(4,4,4-trifluorobutyl)cyclohexan-1-amine
SMILESCCCN(CCCC(F)(F)F)C1(CN)CCC(C)CC1
InChIInChI=1S/C15H29F3N2/c1-3-10-20(11-4-7-15(16,17)18)14(12-19)8-5-13(2)6-9-14/h13H,3-12,19H2,1-2H3
InChIKeyMOTOOPSDTYEPDE-UHFFFAOYSA-N
MW294.41 g/mol
LogP3.95
Rot. Bonds7

About 1-(aminomethyl)-4-methyl-N-propyl-N-(4,4,4-trifluorobutyl)cyclohexan-1-amine

1-(aminomethyl)-4-methyl-N-propyl-N-(4,4,4-trifluorobutyl)cyclohexan-1-amine (PubChem CID 115513355) has the molecular formula C15H29F3N2 and a molecular weight of 294.41 g/mol. Its IUPAC name is 1-(aminomethyl)-4-methyl-N-propyl-N-(4,4,4-trifluorobutyl)cyclohexan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-4-methyl-N-propyl-N-(4,4,4-trifluorobutyl)cyclohexan-1-amine
PubChem CID115513355
Molecular FormulaC15H29F3N2
Molecular Weight294.41 g/mol
Exact Mass294.23
IUPAC Name1-(aminomethyl)-4-methyl-N-propyl-N-(4,4,4-trifluorobutyl)cyclohexan-1-amine
SMILESCCCN(CCCC(F)(F)F)C1(CN)CCC(C)CC1
InChIInChI=1S/C15H29F3N2/c1-3-10-20(11-4-7-15(16,17)18)14(12-19)8-5-13(2)6-9-14/h13H,3-12,19H2,1-2H3
InChIKeyMOTOOPSDTYEPDE-UHFFFAOYSA-N
XLogP3.95
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.41
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-4-methyl-N-propyl-N-(4,4,4-trifluorobutyl)cyclohexan-1-amine?
The IUPAC name of 1-(aminomethyl)-4-methyl-N-propyl-N-(4,4,4-trifluorobutyl)cyclohexan-1-amine (CID 115513355) is 1-(aminomethyl)-4-methyl-N-propyl-N-(4,4,4-trifluorobutyl)cyclohexan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-4-methyl-N-propyl-N-(4,4,4-trifluorobutyl)cyclohexan-1-amine?
The canonical SMILES for 1-(aminomethyl)-4-methyl-N-propyl-N-(4,4,4-trifluorobutyl)cyclohexan-1-amine is CCCN(CCCC(F)(F)F)C1(CN)CCC(C)CC1.
What is the InChIKey of 1-(aminomethyl)-4-methyl-N-propyl-N-(4,4,4-trifluorobutyl)cyclohexan-1-amine?
The InChIKey is MOTOOPSDTYEPDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29F3N2/c1-3-10-20(11-4-7-15(16,17)18)14(12-19)8-5-13(2)6-9-14/h13H,3-12,19H2,1-2H3.
What are the key properties of 1-(aminomethyl)-4-methyl-N-propyl-N-(4,4,4-trifluorobutyl)cyclohexan-1-amine?
1-(aminomethyl)-4-methyl-N-propyl-N-(4,4,4-trifluorobutyl)cyclohexan-1-amine has a molecular weight of 294.41 g/mol, XLogP of 3.95, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-4-methyl-N-propyl-N-(4,4,4-trifluorobutyl)cyclohexan-1-amine is sourced from PubChem (CID 115513355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).