N-[3-(4-ethenyl-3-ethylphenyl)propyl]-N-[(5-methyl-1H-imidazol-4-yl)methyl]pentan-1-amine

C23H35N3 — CID 174197113

IUPACN-[3-(4-ethenyl-3-ethylphenyl)propyl]-N-[(5-methyl-1H-imidazol-4-yl)methyl]pentan-1-amine
SMILESC=Cc1ccc(CCCN(CCCCC)Cc2nc[nH]c2C)cc1CC
InChIInChI=1S/C23H35N3/c1-5-8-9-14-26(17-23-19(4)24-18-25-23)15-10-11-20-12-13-21(6-2)22(7-3)16-20/h6,12-13,16,18H,2,5,7-11,14-15,17H2,1,3-4H3,(H,24,25)
InChIKeyODNKJMDFKCLAFW-UHFFFAOYSA-N
MW353.55 g/mol
LogP5.55
Rot. Bonds12

About N-[3-(4-ethenyl-3-ethylphenyl)propyl]-N-[(5-methyl-1H-imidazol-4-yl)methyl]pentan-1-amine

N-[3-(4-ethenyl-3-ethylphenyl)propyl]-N-[(5-methyl-1H-imidazol-4-yl)methyl]pentan-1-amine (PubChem CID 174197113) has the molecular formula C23H35N3 and a molecular weight of 353.55 g/mol. Its IUPAC name is N-[3-(4-ethenyl-3-ethylphenyl)propyl]-N-[(5-methyl-1H-imidazol-4-yl)methyl]pentan-1-amine.

Molecular Properties

Compound NameN-[3-(4-ethenyl-3-ethylphenyl)propyl]-N-[(5-methyl-1H-imidazol-4-yl)methyl]pentan-1-amine
PubChem CID174197113
Molecular FormulaC23H35N3
Molecular Weight353.55 g/mol
Exact Mass353.28
IUPAC NameN-[3-(4-ethenyl-3-ethylphenyl)propyl]-N-[(5-methyl-1H-imidazol-4-yl)methyl]pentan-1-amine
SMILESC=Cc1ccc(CCCN(CCCCC)Cc2nc[nH]c2C)cc1CC
InChIInChI=1S/C23H35N3/c1-5-8-9-14-26(17-23-19(4)24-18-25-23)15-10-11-20-12-13-21(6-2)22(7-3)16-20/h6,12-13,16,18H,2,5,7-11,14-15,17H2,1,3-4H3,(H,24,25)
InChIKeyODNKJMDFKCLAFW-UHFFFAOYSA-N
XLogP5.55
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.55
LogP ≤ 55.55
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

N-[(5-methyl-1H-imidazol-4-yl)methyl]-N-(2-phenylethyl)propan-1-amine
CID 131949926
2-[dodecyl-[(2-ethenylphenyl)methyl]amino]ethanesulfonic acid
CID 20555550
1,4-dibutyl-2-ethenylbenzene
CID 140596757
4-heptyl-5-methyl-1H-imidazole
CID 89069470
1-ethenyl-2,4-dipropylbenzene
CID 22033822
6-pentyl-1H-benzimidazole
CID 58767911
2-(4-ethenyl-3-ethylphenyl)acetic acid
CID 143512870
N-dodecyl-N-[(4-ethenylphenyl)methyl]dodecan-1-amine
CID 14420666
N-[(4-ethenylphenyl)methyl]-N-nonylnonan-1-amine
CID 14420661
3-(3-chlorophenyl)-N-[2-(dimethylamino)ethyl]-N-[(5-methyl-1H-imidazol-4-yl)methyl]propanamide
CID 135087620
2,4-dipentylbenzaldehyde
CID 19008550
1-ethenyl-2-ethyl-4-methylbenzene
CID 18626822

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-ethenyl-3-ethylphenyl)propyl]-N-[(5-methyl-1H-imidazol-4-yl)methyl]pentan-1-amine?
The IUPAC name of N-[3-(4-ethenyl-3-ethylphenyl)propyl]-N-[(5-methyl-1H-imidazol-4-yl)methyl]pentan-1-amine (CID 174197113) is N-[3-(4-ethenyl-3-ethylphenyl)propyl]-N-[(5-methyl-1H-imidazol-4-yl)methyl]pentan-1-amine.
What is the SMILES notation for N-[3-(4-ethenyl-3-ethylphenyl)propyl]-N-[(5-methyl-1H-imidazol-4-yl)methyl]pentan-1-amine?
The canonical SMILES for N-[3-(4-ethenyl-3-ethylphenyl)propyl]-N-[(5-methyl-1H-imidazol-4-yl)methyl]pentan-1-amine is C=Cc1ccc(CCCN(CCCCC)Cc2nc[nH]c2C)cc1CC.
What is the InChIKey of N-[3-(4-ethenyl-3-ethylphenyl)propyl]-N-[(5-methyl-1H-imidazol-4-yl)methyl]pentan-1-amine?
The InChIKey is ODNKJMDFKCLAFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H35N3/c1-5-8-9-14-26(17-23-19(4)24-18-25-23)15-10-11-20-12-13-21(6-2)22(7-3)16-20/h6,12-13,16,18H,2,5,7-11,14-15,17H2,1,3-4H3,(H,24,25).
What are the key properties of N-[3-(4-ethenyl-3-ethylphenyl)propyl]-N-[(5-methyl-1H-imidazol-4-yl)methyl]pentan-1-amine?
N-[3-(4-ethenyl-3-ethylphenyl)propyl]-N-[(5-methyl-1H-imidazol-4-yl)methyl]pentan-1-amine has a molecular weight of 353.55 g/mol, XLogP of 5.55, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-ethenyl-3-ethylphenyl)propyl]-N-[(5-methyl-1H-imidazol-4-yl)methyl]pentan-1-amine is sourced from PubChem (CID 174197113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).