1-[4-(methylamino)hexyl]-3-propylimidazol-2-one

C13H25N3O — CID 106800521

IUPAC1-[4-(methylamino)hexyl]-3-propylimidazol-2-one
SMILESCCCn1ccn(CCCC(CC)NC)c1=O
InChIInChI=1S/C13H25N3O/c1-4-8-15-10-11-16(13(15)17)9-6-7-12(5-2)14-3/h10-12,14H,4-9H2,1-3H3
InChIKeyHRCJVMDXOTXXNC-UHFFFAOYSA-N
MW239.36 g/mol
LogP1.84
Rot. Bonds8

About 1-[4-(methylamino)hexyl]-3-propylimidazol-2-one

1-[4-(methylamino)hexyl]-3-propylimidazol-2-one (PubChem CID 106800521) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is 1-[4-(methylamino)hexyl]-3-propylimidazol-2-one.

Molecular Properties

Compound Name1-[4-(methylamino)hexyl]-3-propylimidazol-2-one
PubChem CID106800521
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC Name1-[4-(methylamino)hexyl]-3-propylimidazol-2-one
SMILESCCCn1ccn(CCCC(CC)NC)c1=O
InChIInChI=1S/C13H25N3O/c1-4-8-15-10-11-16(13(15)17)9-6-7-12(5-2)14-3/h10-12,14H,4-9H2,1-3H3
InChIKeyHRCJVMDXOTXXNC-UHFFFAOYSA-N
XLogP1.84
TPSA38.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(methylamino)butyl]-3-propylimidazol-2-one
CID 80581786
1-[3-(methylamino)butyl]-3-propylimidazol-2-one
CID 80581600
1-(4-aminopentyl)-3-propylimidazol-2-one
CID 80581550
1-[3-methoxy-2-(methylamino)propyl]-3-propylimidazol-2-one
CID 107506359
1-(3-bromopropyl)-3-propylimidazol-2-one
CID 80580767
6-(2-ethylimidazol-1-yl)-N-methylhexan-3-amine
CID 106800331
1-(3,3-diethoxypropyl)-3-propylimidazol-2-one
CID 80581244
1-(2-methylbutyl)-3-propylimidazol-2-one
CID 116624704
N-methyloctadecan-3-amine
CID 150460863
N-methyldecan-3-amine
CID 60996977
1-(3-azidopropyl)-3-propylimidazol-2-one
CID 80581966
4-(2-oxo-3-propylimidazol-1-yl)butanehydrazide
CID 80582816

Frequently Asked Questions

What is the IUPAC name of 1-[4-(methylamino)hexyl]-3-propylimidazol-2-one?
The IUPAC name of 1-[4-(methylamino)hexyl]-3-propylimidazol-2-one (CID 106800521) is 1-[4-(methylamino)hexyl]-3-propylimidazol-2-one.
What is the SMILES notation for 1-[4-(methylamino)hexyl]-3-propylimidazol-2-one?
The canonical SMILES for 1-[4-(methylamino)hexyl]-3-propylimidazol-2-one is CCCn1ccn(CCCC(CC)NC)c1=O.
What is the InChIKey of 1-[4-(methylamino)hexyl]-3-propylimidazol-2-one?
The InChIKey is HRCJVMDXOTXXNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O/c1-4-8-15-10-11-16(13(15)17)9-6-7-12(5-2)14-3/h10-12,14H,4-9H2,1-3H3.
What are the key properties of 1-[4-(methylamino)hexyl]-3-propylimidazol-2-one?
1-[4-(methylamino)hexyl]-3-propylimidazol-2-one has a molecular weight of 239.36 g/mol, XLogP of 1.84, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(methylamino)hexyl]-3-propylimidazol-2-one is sourced from PubChem (CID 106800521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).