1-[5-[(1R)-1-amino-2-phenylethyl]imidazol-1-yl]-N,N,2-trimethylpropan-2-amine

C17H26N4 — CID 104942784

IUPAC1-[5-[(1R)-1-amino-2-phenylethyl]imidazol-1-yl]-N,N,2-trimethylpropan-2-amine
SMILESCN(C)C(C)(C)Cn1cncc1[C@H](N)Cc1ccccc1
InChIInChI=1S/C17H26N4/c1-17(2,20(3)4)12-21-13-19-11-16(21)15(18)10-14-8-6-5-7-9-14/h5-9,11,13,15H,10,12,18H2,1-4H3/t15-/m1/s1
InChIKeyNPJSIUFAKRNNCU-OAHLLOKOSA-N
MW286.42 g/mol
LogP2.47
Rot. Bonds6

About 1-[5-[(1R)-1-amino-2-phenylethyl]imidazol-1-yl]-N,N,2-trimethylpropan-2-amine

1-[5-[(1R)-1-amino-2-phenylethyl]imidazol-1-yl]-N,N,2-trimethylpropan-2-amine (PubChem CID 104942784) has the molecular formula C17H26N4 and a molecular weight of 286.42 g/mol. Its IUPAC name is 1-[5-[(1R)-1-amino-2-phenylethyl]imidazol-1-yl]-N,N,2-trimethylpropan-2-amine.

Molecular Properties

Compound Name1-[5-[(1R)-1-amino-2-phenylethyl]imidazol-1-yl]-N,N,2-trimethylpropan-2-amine
PubChem CID104942784
Molecular FormulaC17H26N4
Molecular Weight286.42 g/mol
Exact Mass286.22
IUPAC Name1-[5-[(1R)-1-amino-2-phenylethyl]imidazol-1-yl]-N,N,2-trimethylpropan-2-amine
SMILESCN(C)C(C)(C)Cn1cncc1[C@H](N)Cc1ccccc1
InChIInChI=1S/C17H26N4/c1-17(2,20(3)4)12-21-13-19-11-16(21)15(18)10-14-8-6-5-7-9-14/h5-9,11,13,15H,10,12,18H2,1-4H3/t15-/m1/s1
InChIKeyNPJSIUFAKRNNCU-OAHLLOKOSA-N
XLogP2.47
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[5-[(1R)-1-amino-2-phenylethyl]imidazol-1-yl]-N,N,2-trimethylpropan-2-amine with MolForge

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Related Compounds

(1R)-2-phenyl-1-[3-(2,2,2-trifluoroethyl)imidazol-4-yl]ethanamine
CID 104941817
(1R)-1-(3-hexylimidazol-4-yl)-2-phenylethanamine
CID 104943240
(1R)-1-[3-(2-ethoxyethyl)imidazol-4-yl]-2-phenylethanamine
CID 104941453
(1R)-1-[3-(2-methyl-3-methylsulfanylpropyl)imidazol-4-yl]-2-phenylethanamine
CID 104943111
(1R)-1-[3-(3-methylbutan-2-yl)imidazol-4-yl]-2-phenylethanamine
CID 104941515
(1R)-1-[3-(5-methylhexan-2-yl)imidazol-4-yl]-2-phenylethanamine
CID 104943198
(1R)-1-[3-(3-methylpentan-2-yl)imidazol-4-yl]-2-phenylethanamine
CID 104942446
(1R)-1-[3-(4-methylsulfanylbutan-2-yl)imidazol-4-yl]-2-phenylethanamine
CID 104943877
(1R)-1-[3-(4-bromophenyl)imidazol-4-yl]-2-phenylethanamine
CID 104942051
(1R)-1-(3-cyclopentylimidazol-4-yl)-2-phenylethanamine
CID 104941977
1-[3-(2,2-dimethylpropyl)imidazol-4-yl]ethanamine
CID 114704468
(1R)-1-[3-(1-ethoxypropan-2-yl)imidazol-4-yl]-2-phenylethanamine
CID 104942509

Frequently Asked Questions

What is the IUPAC name of 1-[5-[(1R)-1-amino-2-phenylethyl]imidazol-1-yl]-N,N,2-trimethylpropan-2-amine?
The IUPAC name of 1-[5-[(1R)-1-amino-2-phenylethyl]imidazol-1-yl]-N,N,2-trimethylpropan-2-amine (CID 104942784) is 1-[5-[(1R)-1-amino-2-phenylethyl]imidazol-1-yl]-N,N,2-trimethylpropan-2-amine.
What is the SMILES notation for 1-[5-[(1R)-1-amino-2-phenylethyl]imidazol-1-yl]-N,N,2-trimethylpropan-2-amine?
The canonical SMILES for 1-[5-[(1R)-1-amino-2-phenylethyl]imidazol-1-yl]-N,N,2-trimethylpropan-2-amine is CN(C)C(C)(C)Cn1cncc1[C@H](N)Cc1ccccc1.
What is the InChIKey of 1-[5-[(1R)-1-amino-2-phenylethyl]imidazol-1-yl]-N,N,2-trimethylpropan-2-amine?
The InChIKey is NPJSIUFAKRNNCU-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H26N4/c1-17(2,20(3)4)12-21-13-19-11-16(21)15(18)10-14-8-6-5-7-9-14/h5-9,11,13,15H,10,12,18H2,1-4H3/t15-/m1/s1.
What are the key properties of 1-[5-[(1R)-1-amino-2-phenylethyl]imidazol-1-yl]-N,N,2-trimethylpropan-2-amine?
1-[5-[(1R)-1-amino-2-phenylethyl]imidazol-1-yl]-N,N,2-trimethylpropan-2-amine has a molecular weight of 286.42 g/mol, XLogP of 2.47, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[(1R)-1-amino-2-phenylethyl]imidazol-1-yl]-N,N,2-trimethylpropan-2-amine is sourced from PubChem (CID 104942784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).