N-[(1-ethylbenzimidazol-2-yl)methyl]-3,3-dimethylbutan-1-amine

C16H25N3 — CID 115574819

IUPACN-[(1-ethylbenzimidazol-2-yl)methyl]-3,3-dimethylbutan-1-amine
SMILESCCn1c(CNCCC(C)(C)C)nc2ccccc21
InChIInChI=1S/C16H25N3/c1-5-19-14-9-7-6-8-13(14)18-15(19)12-17-11-10-16(2,3)4/h6-9,17H,5,10-12H2,1-4H3
InChIKeyJUQYDDGHPCDQSF-UHFFFAOYSA-N
MW259.40 g/mol
LogP3.58
Rot. Bonds5

About N-[(1-ethylbenzimidazol-2-yl)methyl]-3,3-dimethylbutan-1-amine

N-[(1-ethylbenzimidazol-2-yl)methyl]-3,3-dimethylbutan-1-amine (PubChem CID 115574819) has the molecular formula C16H25N3 and a molecular weight of 259.40 g/mol. Its IUPAC name is N-[(1-ethylbenzimidazol-2-yl)methyl]-3,3-dimethylbutan-1-amine.

Molecular Properties

Compound NameN-[(1-ethylbenzimidazol-2-yl)methyl]-3,3-dimethylbutan-1-amine
PubChem CID115574819
Molecular FormulaC16H25N3
Molecular Weight259.40 g/mol
Exact Mass259.20
IUPAC NameN-[(1-ethylbenzimidazol-2-yl)methyl]-3,3-dimethylbutan-1-amine
SMILESCCn1c(CNCCC(C)(C)C)nc2ccccc21
InChIInChI=1S/C16H25N3/c1-5-19-14-9-7-6-8-13(14)18-15(19)12-17-11-10-16(2,3)4/h6-9,17H,5,10-12H2,1-4H3
InChIKeyJUQYDDGHPCDQSF-UHFFFAOYSA-N
XLogP3.58
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.40
LogP ≤ 53.58
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

N-[(1-ethylbenzimidazol-2-yl)methyl]-2-methylsulfonylethanamine
CID 47145524
N-[(1-ethylbenzimidazol-2-yl)methyl]-2-methylpentan-2-amine
CID 115621638
2-[2-[(1-ethylbenzimidazol-2-yl)methylamino]ethoxy]ethanol
CID 54906324
N-[(1-ethylbenzimidazol-2-yl)methyl]-2-piperidin-1-ylethanamine
CID 60696042
(1-ethylbenzimidazol-2-yl)methylhydrazine
CID 53275104
N-[(1-ethylbenzimidazol-2-yl)methyl]-2,2-difluoroethanamine
CID 113303573
1-cyclopropyl-N-[(1-ethylbenzimidazol-2-yl)methyl]methanamine
CID 43655424
N-[(1-ethylbenzimidazol-2-yl)methyl]-3-pyrrolidin-1-ylpropan-1-amine
CID 61020851
2-[(1-propylbenzimidazol-2-yl)methylamino]ethanol
CID 54905664
N-[(1-ethylbenzimidazol-2-yl)methyl]-2-(1-methyltetrazol-5-yl)sulfanylethanamine
CID 131916332
2-[(1-ethylbenzimidazol-2-yl)methylamino]-N-methylacetamide
CID 60673139
N-[(1-ethylbenzimidazol-2-yl)methyl]-2-methylaniline
CID 61020284

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylbenzimidazol-2-yl)methyl]-3,3-dimethylbutan-1-amine?
The IUPAC name of N-[(1-ethylbenzimidazol-2-yl)methyl]-3,3-dimethylbutan-1-amine (CID 115574819) is N-[(1-ethylbenzimidazol-2-yl)methyl]-3,3-dimethylbutan-1-amine.
What is the SMILES notation for N-[(1-ethylbenzimidazol-2-yl)methyl]-3,3-dimethylbutan-1-amine?
The canonical SMILES for N-[(1-ethylbenzimidazol-2-yl)methyl]-3,3-dimethylbutan-1-amine is CCn1c(CNCCC(C)(C)C)nc2ccccc21.
What is the InChIKey of N-[(1-ethylbenzimidazol-2-yl)methyl]-3,3-dimethylbutan-1-amine?
The InChIKey is JUQYDDGHPCDQSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3/c1-5-19-14-9-7-6-8-13(14)18-15(19)12-17-11-10-16(2,3)4/h6-9,17H,5,10-12H2,1-4H3.
What are the key properties of N-[(1-ethylbenzimidazol-2-yl)methyl]-3,3-dimethylbutan-1-amine?
N-[(1-ethylbenzimidazol-2-yl)methyl]-3,3-dimethylbutan-1-amine has a molecular weight of 259.40 g/mol, XLogP of 3.58, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylbenzimidazol-2-yl)methyl]-3,3-dimethylbutan-1-amine is sourced from PubChem (CID 115574819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).