1-(aminomethyl)-N,4-dimethyl-N-(3,3,3-trifluoropropyl)cyclohexan-1-amine

C12H23F3N2 — CID 64552298

IUPAC1-(aminomethyl)-N,4-dimethyl-N-(3,3,3-trifluoropropyl)cyclohexan-1-amine
SMILESCC1CCC(CN)(N(C)CCC(F)(F)F)CC1
InChIInChI=1S/C12H23F3N2/c1-10-3-5-11(9-16,6-4-10)17(2)8-7-12(13,14)15/h10H,3-9,16H2,1-2H3
InChIKeyDYDFOHXBTWQPMY-UHFFFAOYSA-N
MW252.32 g/mol
LogP2.78
Rot. Bonds4

About 1-(aminomethyl)-N,4-dimethyl-N-(3,3,3-trifluoropropyl)cyclohexan-1-amine

1-(aminomethyl)-N,4-dimethyl-N-(3,3,3-trifluoropropyl)cyclohexan-1-amine (PubChem CID 64552298) has the molecular formula C12H23F3N2 and a molecular weight of 252.32 g/mol. Its IUPAC name is 1-(aminomethyl)-N,4-dimethyl-N-(3,3,3-trifluoropropyl)cyclohexan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-N,4-dimethyl-N-(3,3,3-trifluoropropyl)cyclohexan-1-amine
PubChem CID64552298
Molecular FormulaC12H23F3N2
Molecular Weight252.32 g/mol
Exact Mass252.18
IUPAC Name1-(aminomethyl)-N,4-dimethyl-N-(3,3,3-trifluoropropyl)cyclohexan-1-amine
SMILESCC1CCC(CN)(N(C)CCC(F)(F)F)CC1
InChIInChI=1S/C12H23F3N2/c1-10-3-5-11(9-16,6-4-10)17(2)8-7-12(13,14)15/h10H,3-9,16H2,1-2H3
InChIKeyDYDFOHXBTWQPMY-UHFFFAOYSA-N
XLogP2.78
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N,4-dimethyl-N-(3,3,3-trifluoropropyl)cyclohexan-1-amine?
The IUPAC name of 1-(aminomethyl)-N,4-dimethyl-N-(3,3,3-trifluoropropyl)cyclohexan-1-amine (CID 64552298) is 1-(aminomethyl)-N,4-dimethyl-N-(3,3,3-trifluoropropyl)cyclohexan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-N,4-dimethyl-N-(3,3,3-trifluoropropyl)cyclohexan-1-amine?
The canonical SMILES for 1-(aminomethyl)-N,4-dimethyl-N-(3,3,3-trifluoropropyl)cyclohexan-1-amine is CC1CCC(CN)(N(C)CCC(F)(F)F)CC1.
What is the InChIKey of 1-(aminomethyl)-N,4-dimethyl-N-(3,3,3-trifluoropropyl)cyclohexan-1-amine?
The InChIKey is DYDFOHXBTWQPMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23F3N2/c1-10-3-5-11(9-16,6-4-10)17(2)8-7-12(13,14)15/h10H,3-9,16H2,1-2H3.
What are the key properties of 1-(aminomethyl)-N,4-dimethyl-N-(3,3,3-trifluoropropyl)cyclohexan-1-amine?
1-(aminomethyl)-N,4-dimethyl-N-(3,3,3-trifluoropropyl)cyclohexan-1-amine has a molecular weight of 252.32 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N,4-dimethyl-N-(3,3,3-trifluoropropyl)cyclohexan-1-amine is sourced from PubChem (CID 64552298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).