N-butyl-4-methyl-1-(3-methylbutyl)imidazol-2-amine

C13H25N3 — CID 106557291

IUPACN-butyl-4-methyl-1-(3-methylbutyl)imidazol-2-amine
SMILESCCCCNc1nc(C)cn1CCC(C)C
InChIInChI=1S/C13H25N3/c1-5-6-8-14-13-15-12(4)10-16(13)9-7-11(2)3/h10-11H,5-9H2,1-4H3,(H,14,15)
InChIKeyLYNCFXYKFWPVLC-UHFFFAOYSA-N
MW223.36 g/mol
LogP3.45
Rot. Bonds7

About N-butyl-4-methyl-1-(3-methylbutyl)imidazol-2-amine

N-butyl-4-methyl-1-(3-methylbutyl)imidazol-2-amine (PubChem CID 106557291) has the molecular formula C13H25N3 and a molecular weight of 223.36 g/mol. Its IUPAC name is N-butyl-4-methyl-1-(3-methylbutyl)imidazol-2-amine.

Molecular Properties

Compound NameN-butyl-4-methyl-1-(3-methylbutyl)imidazol-2-amine
PubChem CID106557291
Molecular FormulaC13H25N3
Molecular Weight223.36 g/mol
Exact Mass223.20
IUPAC NameN-butyl-4-methyl-1-(3-methylbutyl)imidazol-2-amine
SMILESCCCCNc1nc(C)cn1CCC(C)C
InChIInChI=1S/C13H25N3/c1-5-6-8-14-13-15-12(4)10-16(13)9-7-11(2)3/h10-11H,5-9H2,1-4H3,(H,14,15)
InChIKeyLYNCFXYKFWPVLC-UHFFFAOYSA-N
XLogP3.45
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-1-(3-methylbutyl)-N-propylimidazol-2-amine
CID 106557292
1-butyl-4-methyl-N-octylimidazol-2-amine
CID 106578853
1-ethyl-4-methyl-N-(3-methylbutyl)imidazol-2-amine
CID 106557328
N-butyl-4-methyl-1-[(2,2,3,3-tetramethylcyclopropyl)methyl]imidazol-2-amine
CID 106576454
N-butyl-1-(2,2-dimethylpropyl)-4-methylimidazol-2-amine
CID 106563654
1-butyl-4-methyl-N-[2-(2-methylpropoxy)ethyl]imidazol-2-amine
CID 106582355
1-(2-methoxyethyl)-4-methyl-N-octylimidazol-2-amine
CID 106578866
N-butyl-4-methyl-1-[2-(2-methylpyrazol-3-yl)ethyl]imidazol-2-amine
CID 106582984
4-methyl-1-(3-phenylbutyl)-N-propylimidazol-2-amine
CID 106572132
N-butyl-4-methyl-1-[(1-propan-2-ylpyrrolidin-3-yl)methyl]imidazol-2-amine
CID 106564255
1-butyl-4-methyl-N-(3,3,3-trifluoropropyl)imidazol-2-amine
CID 106571611
1-decyl-N-ethyl-4-methylimidazol-2-amine
CID 106578047

Frequently Asked Questions

What is the IUPAC name of N-butyl-4-methyl-1-(3-methylbutyl)imidazol-2-amine?
The IUPAC name of N-butyl-4-methyl-1-(3-methylbutyl)imidazol-2-amine (CID 106557291) is N-butyl-4-methyl-1-(3-methylbutyl)imidazol-2-amine.
What is the SMILES notation for N-butyl-4-methyl-1-(3-methylbutyl)imidazol-2-amine?
The canonical SMILES for N-butyl-4-methyl-1-(3-methylbutyl)imidazol-2-amine is CCCCNc1nc(C)cn1CCC(C)C.
What is the InChIKey of N-butyl-4-methyl-1-(3-methylbutyl)imidazol-2-amine?
The InChIKey is LYNCFXYKFWPVLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3/c1-5-6-8-14-13-15-12(4)10-16(13)9-7-11(2)3/h10-11H,5-9H2,1-4H3,(H,14,15).
What are the key properties of N-butyl-4-methyl-1-(3-methylbutyl)imidazol-2-amine?
N-butyl-4-methyl-1-(3-methylbutyl)imidazol-2-amine has a molecular weight of 223.36 g/mol, XLogP of 3.45, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-4-methyl-1-(3-methylbutyl)imidazol-2-amine is sourced from PubChem (CID 106557291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).