N-[[1-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]cyclohexyl]methyl]propan-1-amine

C16H31F3N2 — CID 63494398

IUPACN-[[1-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]cyclohexyl]methyl]propan-1-amine
SMILESCCCNCC1(CN(CC(F)(F)F)C(C)C)CCCCC1
InChIInChI=1S/C16H31F3N2/c1-4-10-20-11-15(8-6-5-7-9-15)12-21(14(2)3)13-16(17,18)19/h14,20H,4-13H2,1-3H3
InChIKeyJPBBLJIBLLKVBC-UHFFFAOYSA-N
MW308.43 g/mol
LogP4.21
Rot. Bonds8

About N-[[1-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]cyclohexyl]methyl]propan-1-amine

N-[[1-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]cyclohexyl]methyl]propan-1-amine (PubChem CID 63494398) has the molecular formula C16H31F3N2 and a molecular weight of 308.43 g/mol. Its IUPAC name is N-[[1-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]cyclohexyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[1-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]cyclohexyl]methyl]propan-1-amine
PubChem CID63494398
Molecular FormulaC16H31F3N2
Molecular Weight308.43 g/mol
Exact Mass308.24
IUPAC NameN-[[1-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]cyclohexyl]methyl]propan-1-amine
SMILESCCCNCC1(CN(CC(F)(F)F)C(C)C)CCCCC1
InChIInChI=1S/C16H31F3N2/c1-4-10-20-11-15(8-6-5-7-9-15)12-21(14(2)3)13-16(17,18)19/h14,20H,4-13H2,1-3H3
InChIKeyJPBBLJIBLLKVBC-UHFFFAOYSA-N
XLogP4.21
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[[1-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]cyclohexyl]methyl]propan-1-amine?
The IUPAC name of N-[[1-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]cyclohexyl]methyl]propan-1-amine (CID 63494398) is N-[[1-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]cyclohexyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[1-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]cyclohexyl]methyl]propan-1-amine?
The canonical SMILES for N-[[1-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]cyclohexyl]methyl]propan-1-amine is CCCNCC1(CN(CC(F)(F)F)C(C)C)CCCCC1.
What is the InChIKey of N-[[1-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]cyclohexyl]methyl]propan-1-amine?
The InChIKey is JPBBLJIBLLKVBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31F3N2/c1-4-10-20-11-15(8-6-5-7-9-15)12-21(14(2)3)13-16(17,18)19/h14,20H,4-13H2,1-3H3.
What are the key properties of N-[[1-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]cyclohexyl]methyl]propan-1-amine?
N-[[1-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]cyclohexyl]methyl]propan-1-amine has a molecular weight of 308.43 g/mol, XLogP of 4.21, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]cyclohexyl]methyl]propan-1-amine is sourced from PubChem (CID 63494398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).