N-(3-methoxypropyl)-1-octylimidazol-2-amine

C15H29N3O — CID 106578886

IUPACN-(3-methoxypropyl)-1-octylimidazol-2-amine
SMILESCCCCCCCCn1ccnc1NCCCOC
InChIInChI=1S/C15H29N3O/c1-3-4-5-6-7-8-12-18-13-11-17-15(18)16-10-9-14-19-2/h11,13H,3-10,12,14H2,1-2H3,(H,16,17)
InChIKeyHSCLIRWPNWOWFL-UHFFFAOYSA-N
MW267.42 g/mol
LogP3.69
Rot. Bonds12

About N-(3-methoxypropyl)-1-octylimidazol-2-amine

N-(3-methoxypropyl)-1-octylimidazol-2-amine (PubChem CID 106578886) has the molecular formula C15H29N3O and a molecular weight of 267.42 g/mol. Its IUPAC name is N-(3-methoxypropyl)-1-octylimidazol-2-amine.

Molecular Properties

Compound NameN-(3-methoxypropyl)-1-octylimidazol-2-amine
PubChem CID106578886
Molecular FormulaC15H29N3O
Molecular Weight267.42 g/mol
Exact Mass267.23
IUPAC NameN-(3-methoxypropyl)-1-octylimidazol-2-amine
SMILESCCCCCCCCn1ccnc1NCCCOC
InChIInChI=1S/C15H29N3O/c1-3-4-5-6-7-8-12-18-13-11-17-15(18)16-10-9-14-19-2/h11,13H,3-10,12,14H2,1-2H3,(H,16,17)
InChIKeyHSCLIRWPNWOWFL-UHFFFAOYSA-N
XLogP3.69
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.42
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-butyl-1-hexylimidazol-2-amine
CID 106573794
1-[4-(2-methoxyethoxy)butyl]-N-(3-methoxypropyl)imidazol-2-amine
CID 106581197
1-butyl-N-[4-(2-methoxyethoxy)butyl]imidazol-2-amine
CID 106581195
1-[3-(diethylamino)propyl]-N-(3-methoxypropyl)imidazol-2-amine
CID 106558829
N-ethyl-1-(4-methoxybutyl)imidazol-2-amine
CID 106565023
N-hexyl-1-propylimidazol-2-amine
CID 106573792
N-(3-ethoxypropyl)-1-(2-methoxyethyl)imidazol-2-amine
CID 106554857
N',N'-diethyl-N-[1-(3-methoxypropyl)imidazol-2-yl]propane-1,3-diamine
CID 106558814
N-(3-methoxypropyl)-1-[2-(1-methylimidazol-2-yl)ethyl]imidazol-2-amine
CID 106568485
N-(4-imidazol-1-ylbutyl)-1-(3-methoxypropyl)imidazol-2-amine
CID 106565958
N-[4-(2-methoxyethoxy)butyl]-1-(2-methoxyethyl)imidazol-2-amine
CID 106581208
1-ethyl-N-octylimidazol-2-amine
CID 115568972

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-1-octylimidazol-2-amine?
The IUPAC name of N-(3-methoxypropyl)-1-octylimidazol-2-amine (CID 106578886) is N-(3-methoxypropyl)-1-octylimidazol-2-amine.
What is the SMILES notation for N-(3-methoxypropyl)-1-octylimidazol-2-amine?
The canonical SMILES for N-(3-methoxypropyl)-1-octylimidazol-2-amine is CCCCCCCCn1ccnc1NCCCOC.
What is the InChIKey of N-(3-methoxypropyl)-1-octylimidazol-2-amine?
The InChIKey is HSCLIRWPNWOWFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O/c1-3-4-5-6-7-8-12-18-13-11-17-15(18)16-10-9-14-19-2/h11,13H,3-10,12,14H2,1-2H3,(H,16,17).
What are the key properties of N-(3-methoxypropyl)-1-octylimidazol-2-amine?
N-(3-methoxypropyl)-1-octylimidazol-2-amine has a molecular weight of 267.42 g/mol, XLogP of 3.69, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-1-octylimidazol-2-amine is sourced from PubChem (CID 106578886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).