N-[(5-chloro-1-methylimidazol-2-yl)methyl]-N'-cyclohexyl-N'-methylpropane-1,3-diamine

C15H27ClN4 — CID 60981096

IUPACN-[(5-chloro-1-methylimidazol-2-yl)methyl]-N'-cyclohexyl-N'-methylpropane-1,3-diamine
SMILESCN(CCCNCc1ncc(Cl)n1C)C1CCCCC1
InChIInChI=1S/C15H27ClN4/c1-19(13-7-4-3-5-8-13)10-6-9-17-12-15-18-11-14(16)20(15)2/h11,13,17H,3-10,12H2,1-2H3
InChIKeyVRGBVVJPEITRPX-UHFFFAOYSA-N
MW298.86 g/mol
LogP2.82
Rot. Bonds7

About N-[(5-chloro-1-methylimidazol-2-yl)methyl]-N'-cyclohexyl-N'-methylpropane-1,3-diamine

N-[(5-chloro-1-methylimidazol-2-yl)methyl]-N'-cyclohexyl-N'-methylpropane-1,3-diamine (PubChem CID 60981096) has the molecular formula C15H27ClN4 and a molecular weight of 298.86 g/mol. Its IUPAC name is N-[(5-chloro-1-methylimidazol-2-yl)methyl]-N'-cyclohexyl-N'-methylpropane-1,3-diamine.

Molecular Properties

Compound NameN-[(5-chloro-1-methylimidazol-2-yl)methyl]-N'-cyclohexyl-N'-methylpropane-1,3-diamine
PubChem CID60981096
Molecular FormulaC15H27ClN4
Molecular Weight298.86 g/mol
Exact Mass298.19
IUPAC NameN-[(5-chloro-1-methylimidazol-2-yl)methyl]-N'-cyclohexyl-N'-methylpropane-1,3-diamine
SMILESCN(CCCNCc1ncc(Cl)n1C)C1CCCCC1
InChIInChI=1S/C15H27ClN4/c1-19(13-7-4-3-5-8-13)10-6-9-17-12-15-18-11-14(16)20(15)2/h11,13,17H,3-10,12H2,1-2H3
InChIKeyVRGBVVJPEITRPX-UHFFFAOYSA-N
XLogP2.82
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.86
LogP ≤ 52.82
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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Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-1-methylimidazol-2-yl)methyl]-N'-cyclohexyl-N'-methylpropane-1,3-diamine?
The IUPAC name of N-[(5-chloro-1-methylimidazol-2-yl)methyl]-N'-cyclohexyl-N'-methylpropane-1,3-diamine (CID 60981096) is N-[(5-chloro-1-methylimidazol-2-yl)methyl]-N'-cyclohexyl-N'-methylpropane-1,3-diamine.
What is the SMILES notation for N-[(5-chloro-1-methylimidazol-2-yl)methyl]-N'-cyclohexyl-N'-methylpropane-1,3-diamine?
The canonical SMILES for N-[(5-chloro-1-methylimidazol-2-yl)methyl]-N'-cyclohexyl-N'-methylpropane-1,3-diamine is CN(CCCNCc1ncc(Cl)n1C)C1CCCCC1.
What is the InChIKey of N-[(5-chloro-1-methylimidazol-2-yl)methyl]-N'-cyclohexyl-N'-methylpropane-1,3-diamine?
The InChIKey is VRGBVVJPEITRPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27ClN4/c1-19(13-7-4-3-5-8-13)10-6-9-17-12-15-18-11-14(16)20(15)2/h11,13,17H,3-10,12H2,1-2H3.
What are the key properties of N-[(5-chloro-1-methylimidazol-2-yl)methyl]-N'-cyclohexyl-N'-methylpropane-1,3-diamine?
N-[(5-chloro-1-methylimidazol-2-yl)methyl]-N'-cyclohexyl-N'-methylpropane-1,3-diamine has a molecular weight of 298.86 g/mol, XLogP of 2.82, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chloro-1-methylimidazol-2-yl)methyl]-N'-cyclohexyl-N'-methylpropane-1,3-diamine is sourced from PubChem (CID 60981096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).