N-[(1-methylimidazol-4-yl)methyl]-N'-propan-2-ylethane-1,2-diamine

C10H20N4 — CID 107971995

IUPACN-[(1-methylimidazol-4-yl)methyl]-N'-propan-2-ylethane-1,2-diamine
SMILESCC(C)NCCNCc1cn(C)cn1
InChIInChI=1S/C10H20N4/c1-9(2)12-5-4-11-6-10-7-14(3)8-13-10/h7-9,11-12H,4-6H2,1-3H3
InChIKeyPTISUCYZLRRONM-UHFFFAOYSA-N
MW196.30 g/mol
LogP0.51
Rot. Bonds6

About N-[(1-methylimidazol-4-yl)methyl]-N'-propan-2-ylethane-1,2-diamine

N-[(1-methylimidazol-4-yl)methyl]-N'-propan-2-ylethane-1,2-diamine (PubChem CID 107971995) has the molecular formula C10H20N4 and a molecular weight of 196.30 g/mol. Its IUPAC name is N-[(1-methylimidazol-4-yl)methyl]-N'-propan-2-ylethane-1,2-diamine.

Molecular Properties

Compound NameN-[(1-methylimidazol-4-yl)methyl]-N'-propan-2-ylethane-1,2-diamine
PubChem CID107971995
Molecular FormulaC10H20N4
Molecular Weight196.30 g/mol
Exact Mass196.17
IUPAC NameN-[(1-methylimidazol-4-yl)methyl]-N'-propan-2-ylethane-1,2-diamine
SMILESCC(C)NCCNCc1cn(C)cn1
InChIInChI=1S/C10H20N4/c1-9(2)12-5-4-11-6-10-7-14(3)8-13-10/h7-9,11-12H,4-6H2,1-3H3
InChIKeyPTISUCYZLRRONM-UHFFFAOYSA-N
XLogP0.51
TPSA41.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.30
LogP ≤ 50.51
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 N-[(1-methylimidazol-4-yl)methyl]-N'-propan-2-ylethane-1,2-diamine?
The IUPAC name of N-[(1-methylimidazol-4-yl)methyl]-N'-propan-2-ylethane-1,2-diamine (CID 107971995) is N-[(1-methylimidazol-4-yl)methyl]-N'-propan-2-ylethane-1,2-diamine.
What is the SMILES notation for N-[(1-methylimidazol-4-yl)methyl]-N'-propan-2-ylethane-1,2-diamine?
The canonical SMILES for N-[(1-methylimidazol-4-yl)methyl]-N'-propan-2-ylethane-1,2-diamine is CC(C)NCCNCc1cn(C)cn1.
What is the InChIKey of N-[(1-methylimidazol-4-yl)methyl]-N'-propan-2-ylethane-1,2-diamine?
The InChIKey is PTISUCYZLRRONM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4/c1-9(2)12-5-4-11-6-10-7-14(3)8-13-10/h7-9,11-12H,4-6H2,1-3H3.
What are the key properties of N-[(1-methylimidazol-4-yl)methyl]-N'-propan-2-ylethane-1,2-diamine?
N-[(1-methylimidazol-4-yl)methyl]-N'-propan-2-ylethane-1,2-diamine has a molecular weight of 196.30 g/mol, XLogP of 0.51, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylimidazol-4-yl)methyl]-N'-propan-2-ylethane-1,2-diamine is sourced from PubChem (CID 107971995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).