N-[(1-propan-2-ylcyclopropyl)methyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine

C12H22F3NO — CID 114113640

IUPACN-[(1-propan-2-ylcyclopropyl)methyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine
SMILESCC(C)C1(CNCCCOCC(F)(F)F)CC1
InChIInChI=1S/C12H22F3NO/c1-10(2)11(4-5-11)8-16-6-3-7-17-9-12(13,14)15/h10,16H,3-9H2,1-2H3
InChIKeyDSXVETMDGHNQCE-UHFFFAOYSA-N
MW253.31 g/mol
LogP2.98
Rot. Bonds8

About N-[(1-propan-2-ylcyclopropyl)methyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine

N-[(1-propan-2-ylcyclopropyl)methyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine (PubChem CID 114113640) has the molecular formula C12H22F3NO and a molecular weight of 253.31 g/mol. Its IUPAC name is N-[(1-propan-2-ylcyclopropyl)methyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine.

Molecular Properties

Compound NameN-[(1-propan-2-ylcyclopropyl)methyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine
PubChem CID114113640
Molecular FormulaC12H22F3NO
Molecular Weight253.31 g/mol
Exact Mass253.17
IUPAC NameN-[(1-propan-2-ylcyclopropyl)methyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine
SMILESCC(C)C1(CNCCCOCC(F)(F)F)CC1
InChIInChI=1S/C12H22F3NO/c1-10(2)11(4-5-11)8-16-6-3-7-17-9-12(13,14)15/h10,16H,3-9H2,1-2H3
InChIKeyDSXVETMDGHNQCE-UHFFFAOYSA-N
XLogP2.98
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 52.98
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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Related Compounds

N'-propan-2-yl-N-[3-(2,2,2-trifluoroethoxy)propyl]propane-1,3-diamine
CID 103208163
1-(1-chloroethyl)-1-[3-(2,2,2-trifluoroethoxy)propyl]cyclopropane
CID 106798516
N-ethyl-1-[1-[3-(2,2,2-trifluoroethoxy)propyl]cyclopropyl]ethanamine
CID 106797855
N-methyl-N'-[3-(2,2,2-trifluoroethoxy)propyl]ethane-1,2-diamine
CID 103208056
2-methyl-3-methylsulfanyl-N-[3-(2,2,2-trifluoroethoxy)propyl]propan-1-amine
CID 63966064
2-methyl-3-pyrrolidin-1-yl-N-[3-(2,2,2-trifluoroethoxy)propyl]propan-1-amine
CID 62990666
1-[1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopropyl]ethanol
CID 106798292
4,4,4-trifluoro-N-[(3-propan-2-ylpyrrolidin-3-yl)methyl]butan-1-amine
CID 106981968
N-[(1-ethylcyclopentyl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine
CID 114125181
2-chloro-3-methoxy-N-[3-(2,2,2-trifluoroethoxy)propyl]propan-1-amine
CID 65024338
4,4-dimethyl-1-[3-(2,2,2-trifluoroethoxy)propylamino]pentan-2-ol
CID 107152188
4-chloro-N-[2-(2,2,2-trifluoroethoxy)ethyl]pentan-1-amine
CID 106121614

Frequently Asked Questions

What is the IUPAC name of N-[(1-propan-2-ylcyclopropyl)methyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine?
The IUPAC name of N-[(1-propan-2-ylcyclopropyl)methyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine (CID 114113640) is N-[(1-propan-2-ylcyclopropyl)methyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine.
What is the SMILES notation for N-[(1-propan-2-ylcyclopropyl)methyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine?
The canonical SMILES for N-[(1-propan-2-ylcyclopropyl)methyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine is CC(C)C1(CNCCCOCC(F)(F)F)CC1.
What is the InChIKey of N-[(1-propan-2-ylcyclopropyl)methyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine?
The InChIKey is DSXVETMDGHNQCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F3NO/c1-10(2)11(4-5-11)8-16-6-3-7-17-9-12(13,14)15/h10,16H,3-9H2,1-2H3.
What are the key properties of N-[(1-propan-2-ylcyclopropyl)methyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine?
N-[(1-propan-2-ylcyclopropyl)methyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine has a molecular weight of 253.31 g/mol, XLogP of 2.98, 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-ylcyclopropyl)methyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine is sourced from PubChem (CID 114113640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).