2-[(4-aminocyclohexyl)amino]-3,3,3-trifluoro-2-methylpropan-1-ol

C10H19F3N2O — CID 121379123

IUPAC2-[(4-aminocyclohexyl)amino]-3,3,3-trifluoro-2-methylpropan-1-ol
SMILESCC(CO)(NC1CCC(N)CC1)C(F)(F)F
InChIInChI=1S/C10H19F3N2O/c1-9(6-16,10(11,12)13)15-8-4-2-7(14)3-5-8/h7-8,15-16H,2-6,14H2,1H3
InChIKeyXYZVPEZWLBRVCB-UHFFFAOYSA-N
MW240.27 g/mol
LogP1.16
Rot. Bonds3

About 2-[(4-aminocyclohexyl)amino]-3,3,3-trifluoro-2-methylpropan-1-ol

2-[(4-aminocyclohexyl)amino]-3,3,3-trifluoro-2-methylpropan-1-ol (PubChem CID 121379123) has the molecular formula C10H19F3N2O and a molecular weight of 240.27 g/mol. Its IUPAC name is 2-[(4-aminocyclohexyl)amino]-3,3,3-trifluoro-2-methylpropan-1-ol.

Molecular Properties

Compound Name2-[(4-aminocyclohexyl)amino]-3,3,3-trifluoro-2-methylpropan-1-ol
PubChem CID121379123
Molecular FormulaC10H19F3N2O
Molecular Weight240.27 g/mol
Exact Mass240.14
IUPAC Name2-[(4-aminocyclohexyl)amino]-3,3,3-trifluoro-2-methylpropan-1-ol
SMILESCC(CO)(NC1CCC(N)CC1)C(F)(F)F
InChIInChI=1S/C10H19F3N2O/c1-9(6-16,10(11,12)13)15-8-4-2-7(14)3-5-8/h7-8,15-16H,2-6,14H2,1H3
InChIKeyXYZVPEZWLBRVCB-UHFFFAOYSA-N
XLogP1.16
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.27
LogP ≤ 51.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-aminocyclohexyl)amino]-3,3,3-trifluoro-2-methylpropan-1-ol?
The IUPAC name of 2-[(4-aminocyclohexyl)amino]-3,3,3-trifluoro-2-methylpropan-1-ol (CID 121379123) is 2-[(4-aminocyclohexyl)amino]-3,3,3-trifluoro-2-methylpropan-1-ol.
What is the SMILES notation for 2-[(4-aminocyclohexyl)amino]-3,3,3-trifluoro-2-methylpropan-1-ol?
The canonical SMILES for 2-[(4-aminocyclohexyl)amino]-3,3,3-trifluoro-2-methylpropan-1-ol is CC(CO)(NC1CCC(N)CC1)C(F)(F)F.
What is the InChIKey of 2-[(4-aminocyclohexyl)amino]-3,3,3-trifluoro-2-methylpropan-1-ol?
The InChIKey is XYZVPEZWLBRVCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F3N2O/c1-9(6-16,10(11,12)13)15-8-4-2-7(14)3-5-8/h7-8,15-16H,2-6,14H2,1H3.
What are the key properties of 2-[(4-aminocyclohexyl)amino]-3,3,3-trifluoro-2-methylpropan-1-ol?
2-[(4-aminocyclohexyl)amino]-3,3,3-trifluoro-2-methylpropan-1-ol has a molecular weight of 240.27 g/mol, XLogP of 1.16, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-aminocyclohexyl)amino]-3,3,3-trifluoro-2-methylpropan-1-ol is sourced from PubChem (CID 121379123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).