(1R)-N,N-dihexyl-1-(5-phenyl-1H-imidazol-2-yl)heptan-1-amine

C28H47N3 — CID 67214777

IUPAC(1R)-N,N-dihexyl-1-(5-phenyl-1H-imidazol-2-yl)heptan-1-amine
SMILESCCCCCC[C@H](c1ncc(-c2ccccc2)[nH]1)N(CCCCCC)CCCCCC
InChIInChI=1S/C28H47N3/c1-4-7-10-16-21-27(28-29-24-26(30-28)25-19-14-13-15-20-25)31(22-17-11-8-5-2)23-18-12-9-6-3/h13-15,19-20,24,27H,4-12,16-18,21-23H2,1-3H3,(H,29,30)/t27-/m1/s1
InChIKeyCTZWKUYORHEUQJ-HHHXNRCGSA-N
MW425.71 g/mol
LogP8.55
Rot. Bonds18

About (1R)-N,N-dihexyl-1-(5-phenyl-1H-imidazol-2-yl)heptan-1-amine

(1R)-N,N-dihexyl-1-(5-phenyl-1H-imidazol-2-yl)heptan-1-amine (PubChem CID 67214777) has the molecular formula C28H47N3 and a molecular weight of 425.71 g/mol. Its IUPAC name is (1R)-N,N-dihexyl-1-(5-phenyl-1H-imidazol-2-yl)heptan-1-amine.

Molecular Properties

Compound Name(1R)-N,N-dihexyl-1-(5-phenyl-1H-imidazol-2-yl)heptan-1-amine
PubChem CID67214777
Molecular FormulaC28H47N3
Molecular Weight425.71 g/mol
Exact Mass425.38
IUPAC Name(1R)-N,N-dihexyl-1-(5-phenyl-1H-imidazol-2-yl)heptan-1-amine
SMILESCCCCCC[C@H](c1ncc(-c2ccccc2)[nH]1)N(CCCCCC)CCCCCC
InChIInChI=1S/C28H47N3/c1-4-7-10-16-21-27(28-29-24-26(30-28)25-19-14-13-15-20-25)31(22-17-11-8-5-2)23-18-12-9-6-3/h13-15,19-20,24,27H,4-12,16-18,21-23H2,1-3H3,(H,29,30)/t27-/m1/s1
InChIKeyCTZWKUYORHEUQJ-HHHXNRCGSA-N
XLogP8.55
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds18
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.71
LogP ≤ 58.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1S)-1-(5-phenyl-1H-imidazol-2-yl)pentan-1-amine
CID 67213867
N-heptyl-N-pentyl-5-phenyl-1H-imidazol-2-amine
CID 141036580
(1R)-N-(2-methylpropyl)-1-(5-phenyl-1H-imidazol-2-yl)heptan-1-amine
CID 67214186
N-[(2-chlorophenyl)methyl]-1-(5-phenyl-1H-imidazol-2-yl)heptan-1-amine
CID 10177913
(2R)-2-amino-N-methyl-N-[(1S)-1-(5-phenyl-1H-imidazol-2-yl)pentyl]-3-sulfanylpropanamide
CID 11688810
N-benzyl-N-pentyl-5-phenyl-1H-imidazol-2-amine
CID 141036518
(1S)-1-[5-(3-bromophenyl)-1H-imidazol-2-yl]heptan-1-amine
CID 67214458
tert-butyl-[(1R)-1-(5-phenyl-1H-imidazol-2-yl)butyl]carbamic acid
CID 67214955
2-(5-phenyl-1H-imidazol-2-yl)butan-1-amine
CID 65233105
2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]heptanoic acid
CID 10733322
tert-butyl-[(1R)-1-[5-(2-methoxyphenyl)-1H-imidazol-2-yl]heptyl]carbamic acid
CID 67213698
2-(5-phenyl-1H-imidazol-2-yl)butanenitrile
CID 116883109

Frequently Asked Questions

What is the IUPAC name of (1R)-N,N-dihexyl-1-(5-phenyl-1H-imidazol-2-yl)heptan-1-amine?
The IUPAC name of (1R)-N,N-dihexyl-1-(5-phenyl-1H-imidazol-2-yl)heptan-1-amine (CID 67214777) is (1R)-N,N-dihexyl-1-(5-phenyl-1H-imidazol-2-yl)heptan-1-amine.
What is the SMILES notation for (1R)-N,N-dihexyl-1-(5-phenyl-1H-imidazol-2-yl)heptan-1-amine?
The canonical SMILES for (1R)-N,N-dihexyl-1-(5-phenyl-1H-imidazol-2-yl)heptan-1-amine is CCCCCC[C@H](c1ncc(-c2ccccc2)[nH]1)N(CCCCCC)CCCCCC.
What is the InChIKey of (1R)-N,N-dihexyl-1-(5-phenyl-1H-imidazol-2-yl)heptan-1-amine?
The InChIKey is CTZWKUYORHEUQJ-HHHXNRCGSA-N. The full InChI is InChI=1S/C28H47N3/c1-4-7-10-16-21-27(28-29-24-26(30-28)25-19-14-13-15-20-25)31(22-17-11-8-5-2)23-18-12-9-6-3/h13-15,19-20,24,27H,4-12,16-18,21-23H2,1-3H3,(H,29,30)/t27-/m1/s1.
What are the key properties of (1R)-N,N-dihexyl-1-(5-phenyl-1H-imidazol-2-yl)heptan-1-amine?
(1R)-N,N-dihexyl-1-(5-phenyl-1H-imidazol-2-yl)heptan-1-amine has a molecular weight of 425.71 g/mol, XLogP of 8.55, 18 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N,N-dihexyl-1-(5-phenyl-1H-imidazol-2-yl)heptan-1-amine is sourced from PubChem (CID 67214777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).