1-(aminomethyl)-N-methyl-N-(4-methylpentan-2-yl)-4-(trifluoromethyl)cyclohexan-1-amine

C15H29F3N2 — CID 64755116

IUPAC1-(aminomethyl)-N-methyl-N-(4-methylpentan-2-yl)-4-(trifluoromethyl)cyclohexan-1-amine
SMILESCC(C)CC(C)N(C)C1(CN)CCC(C(F)(F)F)CC1
InChIInChI=1S/C15H29F3N2/c1-11(2)9-12(3)20(4)14(10-19)7-5-13(6-8-14)15(16,17)18/h11-13H,5-10,19H2,1-4H3
InChIKeyCALUDLXVTQRXFZ-UHFFFAOYSA-N
MW294.41 g/mol
LogP3.80
Rot. Bonds5

About 1-(aminomethyl)-N-methyl-N-(4-methylpentan-2-yl)-4-(trifluoromethyl)cyclohexan-1-amine

1-(aminomethyl)-N-methyl-N-(4-methylpentan-2-yl)-4-(trifluoromethyl)cyclohexan-1-amine (PubChem CID 64755116) has the molecular formula C15H29F3N2 and a molecular weight of 294.41 g/mol. Its IUPAC name is 1-(aminomethyl)-N-methyl-N-(4-methylpentan-2-yl)-4-(trifluoromethyl)cyclohexan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-N-methyl-N-(4-methylpentan-2-yl)-4-(trifluoromethyl)cyclohexan-1-amine
PubChem CID64755116
Molecular FormulaC15H29F3N2
Molecular Weight294.41 g/mol
Exact Mass294.23
IUPAC Name1-(aminomethyl)-N-methyl-N-(4-methylpentan-2-yl)-4-(trifluoromethyl)cyclohexan-1-amine
SMILESCC(C)CC(C)N(C)C1(CN)CCC(C(F)(F)F)CC1
InChIInChI=1S/C15H29F3N2/c1-11(2)9-12(3)20(4)14(10-19)7-5-13(6-8-14)15(16,17)18/h11-13H,5-10,19H2,1-4H3
InChIKeyCALUDLXVTQRXFZ-UHFFFAOYSA-N
XLogP3.80
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.41
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-methyl-N-(4-methylpentan-2-yl)-4-(trifluoromethyl)cyclohexan-1-amine?
The IUPAC name of 1-(aminomethyl)-N-methyl-N-(4-methylpentan-2-yl)-4-(trifluoromethyl)cyclohexan-1-amine (CID 64755116) is 1-(aminomethyl)-N-methyl-N-(4-methylpentan-2-yl)-4-(trifluoromethyl)cyclohexan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-N-methyl-N-(4-methylpentan-2-yl)-4-(trifluoromethyl)cyclohexan-1-amine?
The canonical SMILES for 1-(aminomethyl)-N-methyl-N-(4-methylpentan-2-yl)-4-(trifluoromethyl)cyclohexan-1-amine is CC(C)CC(C)N(C)C1(CN)CCC(C(F)(F)F)CC1.
What is the InChIKey of 1-(aminomethyl)-N-methyl-N-(4-methylpentan-2-yl)-4-(trifluoromethyl)cyclohexan-1-amine?
The InChIKey is CALUDLXVTQRXFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29F3N2/c1-11(2)9-12(3)20(4)14(10-19)7-5-13(6-8-14)15(16,17)18/h11-13H,5-10,19H2,1-4H3.
What are the key properties of 1-(aminomethyl)-N-methyl-N-(4-methylpentan-2-yl)-4-(trifluoromethyl)cyclohexan-1-amine?
1-(aminomethyl)-N-methyl-N-(4-methylpentan-2-yl)-4-(trifluoromethyl)cyclohexan-1-amine has a molecular weight of 294.41 g/mol, XLogP of 3.80, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-methyl-N-(4-methylpentan-2-yl)-4-(trifluoromethyl)cyclohexan-1-amine is sourced from PubChem (CID 64755116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).