N-(4,4-dimethylhexyl)-4,5-dihydro-1H-imidazol-2-amine

C11H23N3 — CID 130344576

IUPACN-(4,4-dimethylhexyl)-4,5-dihydro-1H-imidazol-2-amine
SMILESCCC(C)(C)CCCNC1=NCCN1
InChIInChI=1S/C11H23N3/c1-4-11(2,3)6-5-7-12-10-13-8-9-14-10/h4-9H2,1-3H3,(H2,12,13,14)
InChIKeyHVXQLXYGKHFTRR-UHFFFAOYSA-N
MW197.33 g/mol
LogP1.75
Rot. Bonds5

About N-(4,4-dimethylhexyl)-4,5-dihydro-1H-imidazol-2-amine

N-(4,4-dimethylhexyl)-4,5-dihydro-1H-imidazol-2-amine (PubChem CID 130344576) has the molecular formula C11H23N3 and a molecular weight of 197.33 g/mol. Its IUPAC name is N-(4,4-dimethylhexyl)-4,5-dihydro-1H-imidazol-2-amine.

Molecular Properties

Compound NameN-(4,4-dimethylhexyl)-4,5-dihydro-1H-imidazol-2-amine
PubChem CID130344576
Molecular FormulaC11H23N3
Molecular Weight197.33 g/mol
Exact Mass197.19
IUPAC NameN-(4,4-dimethylhexyl)-4,5-dihydro-1H-imidazol-2-amine
SMILESCCC(C)(C)CCCNC1=NCCN1
InChIInChI=1S/C11H23N3/c1-4-11(2,3)6-5-7-12-10-13-8-9-14-10/h4-9H2,1-3H3,(H2,12,13,14)
InChIKeyHVXQLXYGKHFTRR-UHFFFAOYSA-N
XLogP1.75
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.33
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(4,4-dimethylhexyl)-4,5-dihydro-1H-imidazol-2-amine?
The IUPAC name of N-(4,4-dimethylhexyl)-4,5-dihydro-1H-imidazol-2-amine (CID 130344576) is N-(4,4-dimethylhexyl)-4,5-dihydro-1H-imidazol-2-amine.
What is the SMILES notation for N-(4,4-dimethylhexyl)-4,5-dihydro-1H-imidazol-2-amine?
The canonical SMILES for N-(4,4-dimethylhexyl)-4,5-dihydro-1H-imidazol-2-amine is CCC(C)(C)CCCNC1=NCCN1.
What is the InChIKey of N-(4,4-dimethylhexyl)-4,5-dihydro-1H-imidazol-2-amine?
The InChIKey is HVXQLXYGKHFTRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3/c1-4-11(2,3)6-5-7-12-10-13-8-9-14-10/h4-9H2,1-3H3,(H2,12,13,14).
What are the key properties of N-(4,4-dimethylhexyl)-4,5-dihydro-1H-imidazol-2-amine?
N-(4,4-dimethylhexyl)-4,5-dihydro-1H-imidazol-2-amine has a molecular weight of 197.33 g/mol, XLogP of 1.75, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,4-dimethylhexyl)-4,5-dihydro-1H-imidazol-2-amine is sourced from PubChem (CID 130344576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).