N-butyl-1-(2,2-dimethylpropyl)-4-methylimidazol-2-amine

C13H25N3 — CID 106563654

IUPACN-butyl-1-(2,2-dimethylpropyl)-4-methylimidazol-2-amine
SMILESCCCCNc1nc(C)cn1CC(C)(C)C
InChIInChI=1S/C13H25N3/c1-6-7-8-14-12-15-11(2)9-16(12)10-13(3,4)5/h9H,6-8,10H2,1-5H3,(H,14,15)
InChIKeyKVXAVIPGZAAEOC-UHFFFAOYSA-N
MW223.36 g/mol
LogP3.45
Rot. Bonds5

About N-butyl-1-(2,2-dimethylpropyl)-4-methylimidazol-2-amine

N-butyl-1-(2,2-dimethylpropyl)-4-methylimidazol-2-amine (PubChem CID 106563654) has the molecular formula C13H25N3 and a molecular weight of 223.36 g/mol. Its IUPAC name is N-butyl-1-(2,2-dimethylpropyl)-4-methylimidazol-2-amine.

Molecular Properties

Compound NameN-butyl-1-(2,2-dimethylpropyl)-4-methylimidazol-2-amine
PubChem CID106563654
Molecular FormulaC13H25N3
Molecular Weight223.36 g/mol
Exact Mass223.20
IUPAC NameN-butyl-1-(2,2-dimethylpropyl)-4-methylimidazol-2-amine
SMILESCCCCNc1nc(C)cn1CC(C)(C)C
InChIInChI=1S/C13H25N3/c1-6-7-8-14-12-15-11(2)9-16(12)10-13(3,4)5/h9H,6-8,10H2,1-5H3,(H,14,15)
InChIKeyKVXAVIPGZAAEOC-UHFFFAOYSA-N
XLogP3.45
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
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

1-(2,2-dimethylpropyl)-N-ethyl-4-methylimidazol-2-amine
CID 106563656
N-butyl-4-methyl-1-[(2,2,3,3-tetramethylcyclopropyl)methyl]imidazol-2-amine
CID 106576454
1-butyl-4-methyl-N-octylimidazol-2-amine
CID 106578853
N-butyl-4-methyl-1-(3-methylbutyl)imidazol-2-amine
CID 106557291
N-butyl-4-methyl-1-[(4-methylcyclohexyl)methyl]imidazol-2-amine
CID 106571745
1-butyl-4-methyl-N-(3,3,3-trifluoropropyl)imidazol-2-amine
CID 106571611
N-butyl-4-methyl-1-[2-(2-methylpyrazol-3-yl)ethyl]imidazol-2-amine
CID 106582984
N-butyl-1-[[1-(dimethylamino)cyclopentyl]methyl]-4-methylimidazol-2-amine
CID 106579428
N-butyl-1-[(2-chlorophenyl)methyl]-4-methylimidazol-2-amine
CID 106557065
1-(2-methoxyethyl)-4-methyl-N-octylimidazol-2-amine
CID 106578866
1-[2-(dimethylamino)-2-methylpropyl]-N-(3-methoxypropyl)-4-methylimidazol-2-amine
CID 106569041
1-decyl-N-ethyl-4-methylimidazol-2-amine
CID 106578047

Frequently Asked Questions

What is the IUPAC name of N-butyl-1-(2,2-dimethylpropyl)-4-methylimidazol-2-amine?
The IUPAC name of N-butyl-1-(2,2-dimethylpropyl)-4-methylimidazol-2-amine (CID 106563654) is N-butyl-1-(2,2-dimethylpropyl)-4-methylimidazol-2-amine.
What is the SMILES notation for N-butyl-1-(2,2-dimethylpropyl)-4-methylimidazol-2-amine?
The canonical SMILES for N-butyl-1-(2,2-dimethylpropyl)-4-methylimidazol-2-amine is CCCCNc1nc(C)cn1CC(C)(C)C.
What is the InChIKey of N-butyl-1-(2,2-dimethylpropyl)-4-methylimidazol-2-amine?
The InChIKey is KVXAVIPGZAAEOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3/c1-6-7-8-14-12-15-11(2)9-16(12)10-13(3,4)5/h9H,6-8,10H2,1-5H3,(H,14,15).
What are the key properties of N-butyl-1-(2,2-dimethylpropyl)-4-methylimidazol-2-amine?
N-butyl-1-(2,2-dimethylpropyl)-4-methylimidazol-2-amine has a molecular weight of 223.36 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-1-(2,2-dimethylpropyl)-4-methylimidazol-2-amine is sourced from PubChem (CID 106563654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).