N-[(3-propylimidazol-4-yl)methyl]-1-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methanamine

C14H23F3N4 — CID 66130559

IUPACN-[(3-propylimidazol-4-yl)methyl]-1-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methanamine
SMILESCCCn1cncc1CNCC1CCN(CC(F)(F)F)C1
InChIInChI=1S/C14H23F3N4/c1-2-4-21-11-19-8-13(21)7-18-6-12-3-5-20(9-12)10-14(15,16)17/h8,11-12,18H,2-7,9-10H2,1H3
InChIKeyCZBPUOPFGVQALY-UHFFFAOYSA-N
MW304.36 g/mol
LogP2.27
Rot. Bonds7

About N-[(3-propylimidazol-4-yl)methyl]-1-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methanamine

N-[(3-propylimidazol-4-yl)methyl]-1-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methanamine (PubChem CID 66130559) has the molecular formula C14H23F3N4 and a molecular weight of 304.36 g/mol. Its IUPAC name is N-[(3-propylimidazol-4-yl)methyl]-1-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methanamine.

Molecular Properties

Compound NameN-[(3-propylimidazol-4-yl)methyl]-1-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methanamine
PubChem CID66130559
Molecular FormulaC14H23F3N4
Molecular Weight304.36 g/mol
Exact Mass304.19
IUPAC NameN-[(3-propylimidazol-4-yl)methyl]-1-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methanamine
SMILESCCCn1cncc1CNCC1CCN(CC(F)(F)F)C1
InChIInChI=1S/C14H23F3N4/c1-2-4-21-11-19-8-13(21)7-18-6-12-3-5-20(9-12)10-14(15,16)17/h8,11-12,18H,2-7,9-10H2,1H3
InChIKeyCZBPUOPFGVQALY-UHFFFAOYSA-N
XLogP2.27
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.36
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

((1-methyl-1H-imidazol-5-yl)methyl)(propan-2-yl)amine
CID 59237459
ethyl[(1-methyl-1H-imidazol-5-yl)methyl]amine
CID 59746123
((1-ethyl-1H-imidazol-5-yl)methyl)(methyl)amine
CID 66118213
(3R)-3-[1-methyl-4-(trifluoromethyl)-1H-imidazol-2-yl]piperidine
CID 124710767
(3S)-3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidine
CID 124710768
N-[(1-isobutyl-1H-imidazol-5-yl)methyl]-3-piperidinamine dihydrochloride
CID 56701558
2-(Pyrrolidin-1-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine
CID 118742071
(1-Isobutyl-1H-imidazol-5-yl)methanamine
CID 28063994
N-((1-methyl-1H-imidazol-5-yl)methyl)cyclopropanamine
CID 62998420
2-(1-methyl-1H-imidazol-4-yl)-2-(pyrrolidin-1-yl)ethan-1-amine
CID 84739674
(2,2-Difluoroethyl)[(1-methyl-1H-imidazol-5-YL)methyl]amine
CID 115405646
3-[1-methyl-4-(trifluoromethyl)-1H-imidazol-2-yl]piperidine
CID 121552282

Frequently Asked Questions

What is the IUPAC name of N-[(3-propylimidazol-4-yl)methyl]-1-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methanamine?
The IUPAC name of N-[(3-propylimidazol-4-yl)methyl]-1-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methanamine (CID 66130559) is N-[(3-propylimidazol-4-yl)methyl]-1-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methanamine.
What is the SMILES notation for N-[(3-propylimidazol-4-yl)methyl]-1-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methanamine?
The canonical SMILES for N-[(3-propylimidazol-4-yl)methyl]-1-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methanamine is CCCn1cncc1CNCC1CCN(CC(F)(F)F)C1.
What is the InChIKey of N-[(3-propylimidazol-4-yl)methyl]-1-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methanamine?
The InChIKey is CZBPUOPFGVQALY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23F3N4/c1-2-4-21-11-19-8-13(21)7-18-6-12-3-5-20(9-12)10-14(15,16)17/h8,11-12,18H,2-7,9-10H2,1H3.
What are the key properties of N-[(3-propylimidazol-4-yl)methyl]-1-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methanamine?
N-[(3-propylimidazol-4-yl)methyl]-1-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methanamine has a molecular weight of 304.36 g/mol, XLogP of 2.27, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-propylimidazol-4-yl)methyl]-1-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methanamine is sourced from PubChem (CID 66130559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).