(2R)-N-methyl-2-[4-(4-propylphenyl)imidazol-1-yl]propan-1-amine;molecular hydrogen

C16H25N3 — CID 177010381

IUPAC(2R)-N-methyl-2-[4-(4-propylphenyl)imidazol-1-yl]propan-1-amine;molecular hydrogen
SMILESCCCc1ccc(-c2cn([C@H](C)CNC)cn2)cc1.[H][H]
InChIInChI=1S/C16H23N3.H2/c1-4-5-14-6-8-15(9-7-14)16-11-19(12-18-16)13(2)10-17-3;/h6-9,11-13,17H,4-5,10H2,1-3H3;1H/t13-;/m1./s1
InChIKeyRLSOJOJGBFNNQU-BTQNPOSSSA-N
MW259.40 g/mol
LogP3.53
Rot. Bonds6

About (2R)-N-methyl-2-[4-(4-propylphenyl)imidazol-1-yl]propan-1-amine;molecular hydrogen

(2R)-N-methyl-2-[4-(4-propylphenyl)imidazol-1-yl]propan-1-amine;molecular hydrogen (PubChem CID 177010381) has the molecular formula C16H25N3 and a molecular weight of 259.40 g/mol. Its IUPAC name is (2R)-N-methyl-2-[4-(4-propylphenyl)imidazol-1-yl]propan-1-amine;molecular hydrogen.

Molecular Properties

Compound Name(2R)-N-methyl-2-[4-(4-propylphenyl)imidazol-1-yl]propan-1-amine;molecular hydrogen
PubChem CID177010381
Molecular FormulaC16H25N3
Molecular Weight259.40 g/mol
Exact Mass259.20
IUPAC Name(2R)-N-methyl-2-[4-(4-propylphenyl)imidazol-1-yl]propan-1-amine;molecular hydrogen
SMILESCCCc1ccc(-c2cn([C@H](C)CNC)cn2)cc1.[H][H]
InChIInChI=1S/C16H23N3.H2/c1-4-5-14-6-8-15(9-7-14)16-11-19(12-18-16)13(2)10-17-3;/h6-9,11-13,17H,4-5,10H2,1-3H3;1H/t13-;/m1./s1
InChIKeyRLSOJOJGBFNNQU-BTQNPOSSSA-N
XLogP3.53
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.40
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[4-(4-ethylphenyl)imidazol-1-yl]-N-methylpropan-1-amine
CID 126619821
ethane;2-[4-(4-ethylphenyl)imidazol-1-yl]propan-1-amine
CID 156867202
4-(4-butylphenyl)-1-methylimidazole
CID 82078465
2-(4-propylphenyl)-5-[2-(4-propylphenyl)ethyl]pyridine
CID 19842005
2-(methylamino)-1-(4-propylphenyl)ethanol
CID 64988870
4-(4-butylphenyl)-1-(3-chloropropyl)imidazole
CID 10265489
N-methyl-2-[4-(4-propylphenyl)-1,3-thiazol-2-yl]ethanamine;hydrochloride
CID 120558492
N-[[3-(4-propylphenyl)-1H-pyrazol-5-yl]methyl]propan-2-amine
CID 62113323
N-methyl-1-[4-(4-propylphenyl)phenyl]ethanamine
CID 55198846
2-(3,4-dimethylphenyl)-5-propylpyridine
CID 140847513
ethane;2-(4-propylphenyl)pyridine
CID 158701503
N-[1-(2-hydroxyethyl)-3-(4-propylphenyl)pyrazol-5-yl]-2-methylpropanamide
CID 110928398

Frequently Asked Questions

What is the IUPAC name of (2R)-N-methyl-2-[4-(4-propylphenyl)imidazol-1-yl]propan-1-amine;molecular hydrogen?
The IUPAC name of (2R)-N-methyl-2-[4-(4-propylphenyl)imidazol-1-yl]propan-1-amine;molecular hydrogen (CID 177010381) is (2R)-N-methyl-2-[4-(4-propylphenyl)imidazol-1-yl]propan-1-amine;molecular hydrogen.
What is the SMILES notation for (2R)-N-methyl-2-[4-(4-propylphenyl)imidazol-1-yl]propan-1-amine;molecular hydrogen?
The canonical SMILES for (2R)-N-methyl-2-[4-(4-propylphenyl)imidazol-1-yl]propan-1-amine;molecular hydrogen is CCCc1ccc(-c2cn([C@H](C)CNC)cn2)cc1.[H][H].
What is the InChIKey of (2R)-N-methyl-2-[4-(4-propylphenyl)imidazol-1-yl]propan-1-amine;molecular hydrogen?
The InChIKey is RLSOJOJGBFNNQU-BTQNPOSSSA-N. The full InChI is InChI=1S/C16H23N3.H2/c1-4-5-14-6-8-15(9-7-14)16-11-19(12-18-16)13(2)10-17-3;/h6-9,11-13,17H,4-5,10H2,1-3H3;1H/t13-;/m1./s1.
What are the key properties of (2R)-N-methyl-2-[4-(4-propylphenyl)imidazol-1-yl]propan-1-amine;molecular hydrogen?
(2R)-N-methyl-2-[4-(4-propylphenyl)imidazol-1-yl]propan-1-amine;molecular hydrogen has a molecular weight of 259.40 g/mol, XLogP of 3.53, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-methyl-2-[4-(4-propylphenyl)imidazol-1-yl]propan-1-amine;molecular hydrogen is sourced from PubChem (CID 177010381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).