N',N'-dimethyl-N-[4-methyl-1-(2-methylpropyl)imidazol-2-yl]propane-1,3-diamine

C13H26N4 — CID 106559563

IUPACN',N'-dimethyl-N-[4-methyl-1-(2-methylpropyl)imidazol-2-yl]propane-1,3-diamine
SMILESCc1cn(CC(C)C)c(NCCCN(C)C)n1
InChIInChI=1S/C13H26N4/c1-11(2)9-17-10-12(3)15-13(17)14-7-6-8-16(4)5/h10-11H,6-9H2,1-5H3,(H,14,15)
InChIKeyFVKYHHMFIDSCPD-UHFFFAOYSA-N
MW238.38 g/mol
LogP2.21
Rot. Bonds7

About N',N'-dimethyl-N-[4-methyl-1-(2-methylpropyl)imidazol-2-yl]propane-1,3-diamine

N',N'-dimethyl-N-[4-methyl-1-(2-methylpropyl)imidazol-2-yl]propane-1,3-diamine (PubChem CID 106559563) has the molecular formula C13H26N4 and a molecular weight of 238.38 g/mol. Its IUPAC name is N',N'-dimethyl-N-[4-methyl-1-(2-methylpropyl)imidazol-2-yl]propane-1,3-diamine.

Molecular Properties

Compound NameN',N'-dimethyl-N-[4-methyl-1-(2-methylpropyl)imidazol-2-yl]propane-1,3-diamine
PubChem CID106559563
Molecular FormulaC13H26N4
Molecular Weight238.38 g/mol
Exact Mass238.22
IUPAC NameN',N'-dimethyl-N-[4-methyl-1-(2-methylpropyl)imidazol-2-yl]propane-1,3-diamine
SMILESCc1cn(CC(C)C)c(NCCCN(C)C)n1
InChIInChI=1S/C13H26N4/c1-11(2)9-17-10-12(3)15-13(17)14-7-6-8-16(4)5/h10-11H,6-9H2,1-5H3,(H,14,15)
InChIKeyFVKYHHMFIDSCPD-UHFFFAOYSA-N
XLogP2.21
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.38
LogP ≤ 52.21
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

4-methyl-1-(2-methylpropyl)-N-(3-phenylpropyl)imidazol-2-amine
CID 106563183
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-4-methyl-1-(2-methylpropyl)imidazol-2-amine
CID 106581880
N-(2-ethoxyethyl)-4-methyl-1-(2-methylpropyl)imidazol-2-amine
CID 106554059
4-methyl-1-(2-methylpropyl)-N-(3-phenylbutyl)imidazol-2-amine
CID 106572129
N-butyl-4-methyl-1-(3-methylbutyl)imidazol-2-amine
CID 106557291
N-[1-(3-methoxypropyl)-4-methylimidazol-2-yl]-N',N'-dimethylethane-1,2-diamine
CID 106555104
4-methyl-1-(2-methylpropyl)-N-(2-pyridin-2-ylethyl)imidazol-2-amine
CID 106554402
1-ethyl-4-methyl-N-(3-methylbutyl)imidazol-2-amine
CID 106557328
4-methyl-1-(2-methylpropyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]imidazol-2-amine
CID 106568816
N-(1-ethyl-4-methylimidazol-2-yl)-N'-methyl-N'-phenylpropane-1,3-diamine
CID 106556671
1-[4-(dimethylamino)butyl]-4-methyl-N-prop-2-enylimidazol-2-amine
CID 106565561
4-methyl-N-[2-(3-methylcyclohexyl)ethyl]-1-(2-methylpropyl)imidazol-2-amine
CID 106574352

Frequently Asked Questions

What is the IUPAC name of N',N'-dimethyl-N-[4-methyl-1-(2-methylpropyl)imidazol-2-yl]propane-1,3-diamine?
The IUPAC name of N',N'-dimethyl-N-[4-methyl-1-(2-methylpropyl)imidazol-2-yl]propane-1,3-diamine (CID 106559563) is N',N'-dimethyl-N-[4-methyl-1-(2-methylpropyl)imidazol-2-yl]propane-1,3-diamine.
What is the SMILES notation for N',N'-dimethyl-N-[4-methyl-1-(2-methylpropyl)imidazol-2-yl]propane-1,3-diamine?
The canonical SMILES for N',N'-dimethyl-N-[4-methyl-1-(2-methylpropyl)imidazol-2-yl]propane-1,3-diamine is Cc1cn(CC(C)C)c(NCCCN(C)C)n1.
What is the InChIKey of N',N'-dimethyl-N-[4-methyl-1-(2-methylpropyl)imidazol-2-yl]propane-1,3-diamine?
The InChIKey is FVKYHHMFIDSCPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4/c1-11(2)9-17-10-12(3)15-13(17)14-7-6-8-16(4)5/h10-11H,6-9H2,1-5H3,(H,14,15).
What are the key properties of N',N'-dimethyl-N-[4-methyl-1-(2-methylpropyl)imidazol-2-yl]propane-1,3-diamine?
N',N'-dimethyl-N-[4-methyl-1-(2-methylpropyl)imidazol-2-yl]propane-1,3-diamine has a molecular weight of 238.38 g/mol, XLogP of 2.21, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-dimethyl-N-[4-methyl-1-(2-methylpropyl)imidazol-2-yl]propane-1,3-diamine is sourced from PubChem (CID 106559563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).