2-cyclopropyl-2-methyl-N-propyl-3-(2,2,2-trifluoroethoxy)propan-1-amine

C12H22F3NO — CID 106706195

IUPAC2-cyclopropyl-2-methyl-N-propyl-3-(2,2,2-trifluoroethoxy)propan-1-amine
SMILESCCCNCC(C)(COCC(F)(F)F)C1CC1
InChIInChI=1S/C12H22F3NO/c1-3-6-16-7-11(2,10-4-5-10)8-17-9-12(13,14)15/h10,16H,3-9H2,1-2H3
InChIKeyKZCINUZRUSGMIB-UHFFFAOYSA-N
MW253.31 g/mol
LogP2.98
Rot. Bonds8

About 2-cyclopropyl-2-methyl-N-propyl-3-(2,2,2-trifluoroethoxy)propan-1-amine

2-cyclopropyl-2-methyl-N-propyl-3-(2,2,2-trifluoroethoxy)propan-1-amine (PubChem CID 106706195) has the molecular formula C12H22F3NO and a molecular weight of 253.31 g/mol. Its IUPAC name is 2-cyclopropyl-2-methyl-N-propyl-3-(2,2,2-trifluoroethoxy)propan-1-amine.

Molecular Properties

Compound Name2-cyclopropyl-2-methyl-N-propyl-3-(2,2,2-trifluoroethoxy)propan-1-amine
PubChem CID106706195
Molecular FormulaC12H22F3NO
Molecular Weight253.31 g/mol
Exact Mass253.17
IUPAC Name2-cyclopropyl-2-methyl-N-propyl-3-(2,2,2-trifluoroethoxy)propan-1-amine
SMILESCCCNCC(C)(COCC(F)(F)F)C1CC1
InChIInChI=1S/C12H22F3NO/c1-3-6-16-7-11(2,10-4-5-10)8-17-9-12(13,14)15/h10,16H,3-9H2,1-2H3
InChIKeyKZCINUZRUSGMIB-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

(3R,4R)-4-[(2,2-dimethylcyclopropyl)methoxy]-3-fluoropiperidine
CID 129278142
(3S,4R)-4-[(2,2-dimethylcyclopropyl)methoxy]-3-fluoropiperidine
CID 129278193
(3S,4S)-4-[(2,2-dimethylcyclopropyl)methoxy]-3-fluoropiperidine
CID 129290420
N-[3-(2,2-dimethylpropoxy)-2,2-difluoropropyl]-4,4-dimethylpentan-1-amine
CID 153306615
N-[3-(2,2-dimethylpropoxy)-2,2-difluoropropyl]-4-methylpentan-1-amine
CID 156566719
2,2-dimethyl-N-propyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine
CID 55106975
4-methyl-N-[3-(2,2,2-trifluoroethoxy)propyl]pentan-1-amine
CID 61491233
N-[3-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]butyl]cyclopropanamine
CID 62530141
N-[2-methyl-5-(2,2,2-trifluoroethoxy)pentyl]cyclopropanamine
CID 62531098
N-[2,2-dimethyl-5-(2,2,2-trifluoroethoxy)pentyl]cyclopropanamine
CID 62724547
N-ethyl-2,2-dimethyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine
CID 62724735
2,2-dimethyl-N-(2-methylpropyl)-5-(2,2,2-trifluoroethoxy)pentan-1-amine
CID 62725352

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-methyl-N-propyl-3-(2,2,2-trifluoroethoxy)propan-1-amine?
The IUPAC name of 2-cyclopropyl-2-methyl-N-propyl-3-(2,2,2-trifluoroethoxy)propan-1-amine (CID 106706195) is 2-cyclopropyl-2-methyl-N-propyl-3-(2,2,2-trifluoroethoxy)propan-1-amine.
What is the SMILES notation for 2-cyclopropyl-2-methyl-N-propyl-3-(2,2,2-trifluoroethoxy)propan-1-amine?
The canonical SMILES for 2-cyclopropyl-2-methyl-N-propyl-3-(2,2,2-trifluoroethoxy)propan-1-amine is CCCNCC(C)(COCC(F)(F)F)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-methyl-N-propyl-3-(2,2,2-trifluoroethoxy)propan-1-amine?
The InChIKey is KZCINUZRUSGMIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F3NO/c1-3-6-16-7-11(2,10-4-5-10)8-17-9-12(13,14)15/h10,16H,3-9H2,1-2H3.
What are the key properties of 2-cyclopropyl-2-methyl-N-propyl-3-(2,2,2-trifluoroethoxy)propan-1-amine?
2-cyclopropyl-2-methyl-N-propyl-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 2-cyclopropyl-2-methyl-N-propyl-3-(2,2,2-trifluoroethoxy)propan-1-amine is sourced from PubChem (CID 106706195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).