1-(4-cyclohexylbutyl)-4,5-dihydroimidazol-2-amine;ethane;methanol;propane

C19H43N3O — CID 144911705

IUPAC1-(4-cyclohexylbutyl)-4,5-dihydroimidazol-2-amine;ethane;methanol;propane
SMILESCC.CCC.CO.NC1=NCCN1CCCCC1CCCCC1
InChIInChI=1S/C13H25N3.C3H8.C2H6.CH4O/c14-13-15-9-11-16(13)10-5-4-8-12-6-2-1-3-7-12;1-3-2;2*1-2/h12H,1-11H2,(H2,14,15);3H2,1-2H3;1-2H3;2H,1H3
InChIKeyITJWGDJWIYRXKS-UHFFFAOYSA-N
MW329.57 g/mol
LogP4.42
Rot. Bonds5

About 1-(4-cyclohexylbutyl)-4,5-dihydroimidazol-2-amine;ethane;methanol;propane

1-(4-cyclohexylbutyl)-4,5-dihydroimidazol-2-amine;ethane;methanol;propane (PubChem CID 144911705) has the molecular formula C19H43N3O and a molecular weight of 329.57 g/mol. Its IUPAC name is 1-(4-cyclohexylbutyl)-4,5-dihydroimidazol-2-amine;ethane;methanol;propane.

Molecular Properties

Compound Name1-(4-cyclohexylbutyl)-4,5-dihydroimidazol-2-amine;ethane;methanol;propane
PubChem CID144911705
Molecular FormulaC19H43N3O
Molecular Weight329.57 g/mol
Exact Mass329.34
IUPAC Name1-(4-cyclohexylbutyl)-4,5-dihydroimidazol-2-amine;ethane;methanol;propane
SMILESCC.CCC.CO.NC1=NCCN1CCCCC1CCCCC1
InChIInChI=1S/C13H25N3.C3H8.C2H6.CH4O/c14-13-15-9-11-16(13)10-5-4-8-12-6-2-1-3-7-12;1-3-2;2*1-2/h12H,1-11H2,(H2,14,15);3H2,1-2H3;1-2H3;2H,1H3
InChIKeyITJWGDJWIYRXKS-UHFFFAOYSA-N
XLogP4.42
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.57
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclohexylbutyl)-4,5-dihydroimidazol-2-amine;ethane;methanol;propane?
The IUPAC name of 1-(4-cyclohexylbutyl)-4,5-dihydroimidazol-2-amine;ethane;methanol;propane (CID 144911705) is 1-(4-cyclohexylbutyl)-4,5-dihydroimidazol-2-amine;ethane;methanol;propane.
What is the SMILES notation for 1-(4-cyclohexylbutyl)-4,5-dihydroimidazol-2-amine;ethane;methanol;propane?
The canonical SMILES for 1-(4-cyclohexylbutyl)-4,5-dihydroimidazol-2-amine;ethane;methanol;propane is CC.CCC.CO.NC1=NCCN1CCCCC1CCCCC1.
What is the InChIKey of 1-(4-cyclohexylbutyl)-4,5-dihydroimidazol-2-amine;ethane;methanol;propane?
The InChIKey is ITJWGDJWIYRXKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3.C3H8.C2H6.CH4O/c14-13-15-9-11-16(13)10-5-4-8-12-6-2-1-3-7-12;1-3-2;2*1-2/h12H,1-11H2,(H2,14,15);3H2,1-2H3;1-2H3;2H,1H3.
What are the key properties of 1-(4-cyclohexylbutyl)-4,5-dihydroimidazol-2-amine;ethane;methanol;propane?
1-(4-cyclohexylbutyl)-4,5-dihydroimidazol-2-amine;ethane;methanol;propane has a molecular weight of 329.57 g/mol, XLogP of 4.42, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclohexylbutyl)-4,5-dihydroimidazol-2-amine;ethane;methanol;propane is sourced from PubChem (CID 144911705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).