N-[[(1R,3S)-3-(aminomethyl)cyclohexyl]methyl]-3,3,3-trifluoropropan-1-amine

C11H21F3N2 — CID 54300835

IUPACN-[[(1R,3S)-3-(aminomethyl)cyclohexyl]methyl]-3,3,3-trifluoropropan-1-amine
SMILESNC[C@H]1CCC[C@@H](CNCCC(F)(F)F)C1
InChIInChI=1S/C11H21F3N2/c12-11(13,14)4-5-16-8-10-3-1-2-9(6-10)7-15/h9-10,16H,1-8,15H2/t9-,10+/m0/s1
InChIKeySEASKDXMJOSXMX-VHSXEESVSA-N
MW238.30 g/mol
LogP2.29
Rot. Bonds5

About N-[[(1R,3S)-3-(aminomethyl)cyclohexyl]methyl]-3,3,3-trifluoropropan-1-amine

N-[[(1R,3S)-3-(aminomethyl)cyclohexyl]methyl]-3,3,3-trifluoropropan-1-amine (PubChem CID 54300835) has the molecular formula C11H21F3N2 and a molecular weight of 238.30 g/mol. Its IUPAC name is N-[[(1R,3S)-3-(aminomethyl)cyclohexyl]methyl]-3,3,3-trifluoropropan-1-amine.

Molecular Properties

Compound NameN-[[(1R,3S)-3-(aminomethyl)cyclohexyl]methyl]-3,3,3-trifluoropropan-1-amine
PubChem CID54300835
Molecular FormulaC11H21F3N2
Molecular Weight238.30 g/mol
Exact Mass238.17
IUPAC NameN-[[(1R,3S)-3-(aminomethyl)cyclohexyl]methyl]-3,3,3-trifluoropropan-1-amine
SMILESNC[C@H]1CCC[C@@H](CNCCC(F)(F)F)C1
InChIInChI=1S/C11H21F3N2/c12-11(13,14)4-5-16-8-10-3-1-2-9(6-10)7-15/h9-10,16H,1-8,15H2/t9-,10+/m0/s1
InChIKeySEASKDXMJOSXMX-VHSXEESVSA-N
XLogP2.29
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.30
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(4,4-difluorocyclohexyl)-N-methylethan-1-amine
CID 84022133
Pyrrolidine, 3-(4,4-difluorocyclohexyl)-
CID 89500824
((4,4-Difluorocyclohexyl)methyl)(methyl)amine hydrochloride
CID 146049846
10-(Trifluoromethyl)-3-azaspiro[5.5]undecane
CID 64758046
N-[(1S)-1-cyclohexylethyl]-2,2,2-trifluoroethanamine
CID 81385216
[(1S)-1-cyclohexylethyl]-(2,2,2-trifluoroethyl)azanium
CID 164667452
N-(cyclohexylmethyl)-2-fluoroethanamine
CID 11240644
2-cyclohexyl-N-(2-fluoroethyl)ethanamine
CID 18361201
N-(2-cyclohexylethyl)-2,2,2-trifluoroethanamine
CID 20699942
N-(2-cyclohexylethyl)-5,5,5-trifluoropentan-1-amine
CID 20699945
N-propan-2-yl-4-(trifluoromethyl)cyclohexan-1-amine
CID 21034320
N-(cyclohexylmethyl)-2,2,2-trifluoroethanamine
CID 24692618

Frequently Asked Questions

What is the IUPAC name of N-[[(1R,3S)-3-(aminomethyl)cyclohexyl]methyl]-3,3,3-trifluoropropan-1-amine?
The IUPAC name of N-[[(1R,3S)-3-(aminomethyl)cyclohexyl]methyl]-3,3,3-trifluoropropan-1-amine (CID 54300835) is N-[[(1R,3S)-3-(aminomethyl)cyclohexyl]methyl]-3,3,3-trifluoropropan-1-amine.
What is the SMILES notation for N-[[(1R,3S)-3-(aminomethyl)cyclohexyl]methyl]-3,3,3-trifluoropropan-1-amine?
The canonical SMILES for N-[[(1R,3S)-3-(aminomethyl)cyclohexyl]methyl]-3,3,3-trifluoropropan-1-amine is NC[C@H]1CCC[C@@H](CNCCC(F)(F)F)C1.
What is the InChIKey of N-[[(1R,3S)-3-(aminomethyl)cyclohexyl]methyl]-3,3,3-trifluoropropan-1-amine?
The InChIKey is SEASKDXMJOSXMX-VHSXEESVSA-N. The full InChI is InChI=1S/C11H21F3N2/c12-11(13,14)4-5-16-8-10-3-1-2-9(6-10)7-15/h9-10,16H,1-8,15H2/t9-,10+/m0/s1.
What are the key properties of N-[[(1R,3S)-3-(aminomethyl)cyclohexyl]methyl]-3,3,3-trifluoropropan-1-amine?
N-[[(1R,3S)-3-(aminomethyl)cyclohexyl]methyl]-3,3,3-trifluoropropan-1-amine has a molecular weight of 238.30 g/mol, XLogP of 2.29, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(1R,3S)-3-(aminomethyl)cyclohexyl]methyl]-3,3,3-trifluoropropan-1-amine is sourced from PubChem (CID 54300835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).