N-propyl-1-(1-propylimidazol-2-yl)-3-(2,2,2-trifluoroethoxy)propan-2-amine

C14H24F3N3O — CID 103215840

IUPACN-propyl-1-(1-propylimidazol-2-yl)-3-(2,2,2-trifluoroethoxy)propan-2-amine
SMILESCCCNC(COCC(F)(F)F)Cc1nccn1CCC
InChIInChI=1S/C14H24F3N3O/c1-3-5-18-12(10-21-11-14(15,16)17)9-13-19-6-8-20(13)7-4-2/h6,8,12,18H,3-5,7,9-11H2,1-2H3
InChIKeyQDTPAQFKYBTLPN-UHFFFAOYSA-N
MW307.36 g/mol
LogP2.78
Rot. Bonds10

About N-propyl-1-(1-propylimidazol-2-yl)-3-(2,2,2-trifluoroethoxy)propan-2-amine

N-propyl-1-(1-propylimidazol-2-yl)-3-(2,2,2-trifluoroethoxy)propan-2-amine (PubChem CID 103215840) has the molecular formula C14H24F3N3O and a molecular weight of 307.36 g/mol. Its IUPAC name is N-propyl-1-(1-propylimidazol-2-yl)-3-(2,2,2-trifluoroethoxy)propan-2-amine.

Molecular Properties

Compound NameN-propyl-1-(1-propylimidazol-2-yl)-3-(2,2,2-trifluoroethoxy)propan-2-amine
PubChem CID103215840
Molecular FormulaC14H24F3N3O
Molecular Weight307.36 g/mol
Exact Mass307.19
IUPAC NameN-propyl-1-(1-propylimidazol-2-yl)-3-(2,2,2-trifluoroethoxy)propan-2-amine
SMILESCCCNC(COCC(F)(F)F)Cc1nccn1CCC
InChIInChI=1S/C14H24F3N3O/c1-3-5-18-12(10-21-11-14(15,16)17)9-13-19-6-8-20(13)7-4-2/h6,8,12,18H,3-5,7,9-11H2,1-2H3
InChIKeyQDTPAQFKYBTLPN-UHFFFAOYSA-N
XLogP2.78
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.36
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-1-(1-ethylimidazol-2-yl)-3-(2,2,2-trifluoroethoxy)propan-2-amine
CID 103215787
1-(1-propylimidazol-2-yl)-3-(2,2,2-trifluoroethoxy)propan-2-amine
CID 103215835
1-(1-ethylimidazol-2-yl)-3-propoxy-N-propylpropan-2-amine
CID 79752808
1-methylsulfonyl-N-propyl-3-(1-propylimidazol-2-yl)propan-2-amine
CID 105012195
N-propyl-1-(1-propylimidazol-2-yl)heptan-2-amine
CID 105012472
4,5,5-trimethyl-N-propyl-1-(1-propylimidazol-2-yl)hexan-2-amine
CID 105012491
5-methoxy-N-propyl-1-(1-propylimidazol-2-yl)pentan-2-amine
CID 79761113
4-cyclopentyl-N-propyl-1-(1-propylimidazol-2-yl)butan-2-amine
CID 105012343
3,3-dimethyl-N-propyl-1-(1-propylimidazol-2-yl)butan-2-amine
CID 79753036
N-propyl-1-(1-propylimidazol-2-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 103148700
N-propyl-1-(1-propylimidazol-2-yl)-3-pyridin-2-ylpropan-2-amine
CID 79752625
1-(1-ethylimidazol-2-yl)-4-methoxy-4-methyl-N-propylpentan-2-amine
CID 103028538

Frequently Asked Questions

What is the IUPAC name of N-propyl-1-(1-propylimidazol-2-yl)-3-(2,2,2-trifluoroethoxy)propan-2-amine?
The IUPAC name of N-propyl-1-(1-propylimidazol-2-yl)-3-(2,2,2-trifluoroethoxy)propan-2-amine (CID 103215840) is N-propyl-1-(1-propylimidazol-2-yl)-3-(2,2,2-trifluoroethoxy)propan-2-amine.
What is the SMILES notation for N-propyl-1-(1-propylimidazol-2-yl)-3-(2,2,2-trifluoroethoxy)propan-2-amine?
The canonical SMILES for N-propyl-1-(1-propylimidazol-2-yl)-3-(2,2,2-trifluoroethoxy)propan-2-amine is CCCNC(COCC(F)(F)F)Cc1nccn1CCC.
What is the InChIKey of N-propyl-1-(1-propylimidazol-2-yl)-3-(2,2,2-trifluoroethoxy)propan-2-amine?
The InChIKey is QDTPAQFKYBTLPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24F3N3O/c1-3-5-18-12(10-21-11-14(15,16)17)9-13-19-6-8-20(13)7-4-2/h6,8,12,18H,3-5,7,9-11H2,1-2H3.
What are the key properties of N-propyl-1-(1-propylimidazol-2-yl)-3-(2,2,2-trifluoroethoxy)propan-2-amine?
N-propyl-1-(1-propylimidazol-2-yl)-3-(2,2,2-trifluoroethoxy)propan-2-amine has a molecular weight of 307.36 g/mol, XLogP of 2.78, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-1-(1-propylimidazol-2-yl)-3-(2,2,2-trifluoroethoxy)propan-2-amine is sourced from PubChem (CID 103215840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).