1-(1-methylimidazol-2-yl)-5-(2,2,2-trifluoroethoxy)pentan-3-amine

C11H18F3N3O — CID 103148001

IUPAC1-(1-methylimidazol-2-yl)-5-(2,2,2-trifluoroethoxy)pentan-3-amine
SMILESCn1ccnc1CCC(N)CCOCC(F)(F)F
InChIInChI=1S/C11H18F3N3O/c1-17-6-5-16-10(17)3-2-9(15)4-7-18-8-11(12,13)14/h5-6,9H,2-4,7-8,15H2,1H3
InChIKeyDHFKTNBQJSVYPW-UHFFFAOYSA-N
MW265.28 g/mol
LogP1.65
Rot. Bonds7

About 1-(1-methylimidazol-2-yl)-5-(2,2,2-trifluoroethoxy)pentan-3-amine

1-(1-methylimidazol-2-yl)-5-(2,2,2-trifluoroethoxy)pentan-3-amine (PubChem CID 103148001) has the molecular formula C11H18F3N3O and a molecular weight of 265.28 g/mol. Its IUPAC name is 1-(1-methylimidazol-2-yl)-5-(2,2,2-trifluoroethoxy)pentan-3-amine.

Molecular Properties

Compound Name1-(1-methylimidazol-2-yl)-5-(2,2,2-trifluoroethoxy)pentan-3-amine
PubChem CID103148001
Molecular FormulaC11H18F3N3O
Molecular Weight265.28 g/mol
Exact Mass265.14
IUPAC Name1-(1-methylimidazol-2-yl)-5-(2,2,2-trifluoroethoxy)pentan-3-amine
SMILESCn1ccnc1CCC(N)CCOCC(F)(F)F
InChIInChI=1S/C11H18F3N3O/c1-17-6-5-16-10(17)3-2-9(15)4-7-18-8-11(12,13)14/h5-6,9H,2-4,7-8,15H2,1H3
InChIKeyDHFKTNBQJSVYPW-UHFFFAOYSA-N
XLogP1.65
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.28
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(Oxan-4-yl)-2-(trifluoromethyl)imidazole
CID 71665286
(1-methyl-1H-imidazol-2-yl)(oxan-4-yl)methanamine
CID 65334856
2-(1-methyl-1H-imidazol-2-yl)oxan-4-amine
CID 121553057
N-[(S)-cyclopropyl-(1-methylimidazol-2-yl)methyl]oxan-4-amine
CID 124616644
1-[1-(2,2-Difluoropropoxy)-1,1,2,2,3,4,5,5,5-nonafluoropentan-3-yl]imidazole
CID 89114482
N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3-methoxypropan-1-amine
CID 43090510
N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3-ethoxypropan-1-amine
CID 43111961
N-[[1-(difluoromethyl)imidazol-2-yl]methyl]pentan-2-amine
CID 43112005
4-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-N,1-N-diethylpentane-1,4-diamine
CID 43244226
N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-(oxolan-2-yl)ethanamine
CID 43534058
N-[[1-(difluoromethyl)imidazol-2-yl]methyl]oxan-4-amine
CID 43610158
N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-(oxan-3-yl)methanamine
CID 54906222

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylimidazol-2-yl)-5-(2,2,2-trifluoroethoxy)pentan-3-amine?
The IUPAC name of 1-(1-methylimidazol-2-yl)-5-(2,2,2-trifluoroethoxy)pentan-3-amine (CID 103148001) is 1-(1-methylimidazol-2-yl)-5-(2,2,2-trifluoroethoxy)pentan-3-amine.
What is the SMILES notation for 1-(1-methylimidazol-2-yl)-5-(2,2,2-trifluoroethoxy)pentan-3-amine?
The canonical SMILES for 1-(1-methylimidazol-2-yl)-5-(2,2,2-trifluoroethoxy)pentan-3-amine is Cn1ccnc1CCC(N)CCOCC(F)(F)F.
What is the InChIKey of 1-(1-methylimidazol-2-yl)-5-(2,2,2-trifluoroethoxy)pentan-3-amine?
The InChIKey is DHFKTNBQJSVYPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3N3O/c1-17-6-5-16-10(17)3-2-9(15)4-7-18-8-11(12,13)14/h5-6,9H,2-4,7-8,15H2,1H3.
What are the key properties of 1-(1-methylimidazol-2-yl)-5-(2,2,2-trifluoroethoxy)pentan-3-amine?
1-(1-methylimidazol-2-yl)-5-(2,2,2-trifluoroethoxy)pentan-3-amine has a molecular weight of 265.28 g/mol, XLogP of 1.65, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylimidazol-2-yl)-5-(2,2,2-trifluoroethoxy)pentan-3-amine is sourced from PubChem (CID 103148001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).