N-butyl-N,1,3-trimethyl-4,5-dihydroimidazol-1-ium-2-amine

C10H22N3+ — CID 11198264

IUPACN-butyl-N,1,3-trimethyl-4,5-dihydroimidazol-1-ium-2-amine
SMILESCCCCN(C)C1=[N+](C)CCN1C
InChIInChI=1S/C10H22N3/c1-5-6-7-11(2)10-12(3)8-9-13(10)4/h5-9H2,1-4H3/q+1
InChIKeyIQNXYCPJRKUUKK-UHFFFAOYSA-N
MW184.31 g/mol
LogP0.66
Rot. Bonds3

About N-butyl-N,1,3-trimethyl-4,5-dihydroimidazol-1-ium-2-amine

N-butyl-N,1,3-trimethyl-4,5-dihydroimidazol-1-ium-2-amine (PubChem CID 11198264) has the molecular formula C10H22N3+ and a molecular weight of 184.31 g/mol. Its IUPAC name is N-butyl-N,1,3-trimethyl-4,5-dihydroimidazol-1-ium-2-amine.

Molecular Properties

Compound NameN-butyl-N,1,3-trimethyl-4,5-dihydroimidazol-1-ium-2-amine
PubChem CID11198264
Molecular FormulaC10H22N3+
Molecular Weight184.31 g/mol
Exact Mass184.18
IUPAC NameN-butyl-N,1,3-trimethyl-4,5-dihydroimidazol-1-ium-2-amine
SMILESCCCCN(C)C1=[N+](C)CCN1C
InChIInChI=1S/C10H22N3/c1-5-6-7-11(2)10-12(3)8-9-13(10)4/h5-9H2,1-4H3/q+1
InChIKeyIQNXYCPJRKUUKK-UHFFFAOYSA-N
XLogP0.66
TPSA9.49 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.31
LogP ≤ 50.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

1-butyl-N,N-dimethyl-4,5-dihydroimidazol-2-amine
CID 25102671
1-heptyl-N,N-dimethyl-4,5-dihydroimidazol-2-amine
CID 25102696
N,N-dimethyl-1-(2-methylpropyl)-4,5-dihydroimidazol-2-amine
CID 25102672
(5S)-N,N,5-trimethyl-1-(3-methylbutyl)-4,5-dihydroimidazol-2-amine
CID 25102553
1-(2-ethylbutyl)-N,N-dimethyl-4,5-dihydroimidazol-2-amine
CID 24856270
N,N-dimethyl-1-(3-methylbutyl)-4,5-dihydroimidazol-2-amine
CID 25102528
1-Butyl-3-methyl-4,5-dihydroimidazol-3-ium
CID 9794013
N-butyl-N',N',N'',N''-tetramethylguanidine
CID 20446383
1,3-di(propan-2-yl)-4,5-dihydro-2H-imidazol-1-ium-2-ide
CID 24999061
N-propyl-tetramethylguanidine
CID 54549543
1,3-dimethyl-4,5-dihydro-2H-imidazol-1-ium-2-ide
CID 59380814
1-(1-Fluorobutyl)-1,2,3,3-tetramethylguanidine
CID 87896230

Frequently Asked Questions

What is the IUPAC name of N-butyl-N,1,3-trimethyl-4,5-dihydroimidazol-1-ium-2-amine?
The IUPAC name of N-butyl-N,1,3-trimethyl-4,5-dihydroimidazol-1-ium-2-amine (CID 11198264) is N-butyl-N,1,3-trimethyl-4,5-dihydroimidazol-1-ium-2-amine.
What is the SMILES notation for N-butyl-N,1,3-trimethyl-4,5-dihydroimidazol-1-ium-2-amine?
The canonical SMILES for N-butyl-N,1,3-trimethyl-4,5-dihydroimidazol-1-ium-2-amine is CCCCN(C)C1=[N+](C)CCN1C.
What is the InChIKey of N-butyl-N,1,3-trimethyl-4,5-dihydroimidazol-1-ium-2-amine?
The InChIKey is IQNXYCPJRKUUKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N3/c1-5-6-7-11(2)10-12(3)8-9-13(10)4/h5-9H2,1-4H3/q+1.
What are the key properties of N-butyl-N,1,3-trimethyl-4,5-dihydroimidazol-1-ium-2-amine?
N-butyl-N,1,3-trimethyl-4,5-dihydroimidazol-1-ium-2-amine has a molecular weight of 184.31 g/mol, XLogP of 0.66, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N,1,3-trimethyl-4,5-dihydroimidazol-1-ium-2-amine is sourced from PubChem (CID 11198264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).