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

C10H21N3 — CID 59866768

IUPACN-(4,4-dimethylpentyl)-4,5-dihydro-1H-imidazol-2-amine
SMILESCC(C)(C)CCCNC1=NCCN1
InChIInChI=1S/C10H21N3/c1-10(2,3)5-4-6-11-9-12-7-8-13-9/h4-8H2,1-3H3,(H2,11,12,13)
InChIKeyOCHJSIBHJRCHEE-UHFFFAOYSA-N
MW183.30 g/mol
LogP1.36
Rot. Bonds3

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

N-(4,4-dimethylpentyl)-4,5-dihydro-1H-imidazol-2-amine (PubChem CID 59866768) has the molecular formula C10H21N3 and a molecular weight of 183.30 g/mol. Its IUPAC name is N-(4,4-dimethylpentyl)-4,5-dihydro-1H-imidazol-2-amine.

Molecular Properties

Compound NameN-(4,4-dimethylpentyl)-4,5-dihydro-1H-imidazol-2-amine
PubChem CID59866768
Molecular FormulaC10H21N3
Molecular Weight183.30 g/mol
Exact Mass183.17
IUPAC NameN-(4,4-dimethylpentyl)-4,5-dihydro-1H-imidazol-2-amine
SMILESCC(C)(C)CCCNC1=NCCN1
InChIInChI=1S/C10H21N3/c1-10(2,3)5-4-6-11-9-12-7-8-13-9/h4-8H2,1-3H3,(H2,11,12,13)
InChIKeyOCHJSIBHJRCHEE-UHFFFAOYSA-N
XLogP1.36
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.30
LogP ≤ 51.36
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-dimethylpentyl)-4,5-dihydro-1H-imidazol-2-amine?
The IUPAC name of N-(4,4-dimethylpentyl)-4,5-dihydro-1H-imidazol-2-amine (CID 59866768) is N-(4,4-dimethylpentyl)-4,5-dihydro-1H-imidazol-2-amine.
What is the SMILES notation for N-(4,4-dimethylpentyl)-4,5-dihydro-1H-imidazol-2-amine?
The canonical SMILES for N-(4,4-dimethylpentyl)-4,5-dihydro-1H-imidazol-2-amine is CC(C)(C)CCCNC1=NCCN1.
What is the InChIKey of N-(4,4-dimethylpentyl)-4,5-dihydro-1H-imidazol-2-amine?
The InChIKey is OCHJSIBHJRCHEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3/c1-10(2,3)5-4-6-11-9-12-7-8-13-9/h4-8H2,1-3H3,(H2,11,12,13).
What are the key properties of N-(4,4-dimethylpentyl)-4,5-dihydro-1H-imidazol-2-amine?
N-(4,4-dimethylpentyl)-4,5-dihydro-1H-imidazol-2-amine has a molecular weight of 183.30 g/mol, XLogP of 1.36, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,4-dimethylpentyl)-4,5-dihydro-1H-imidazol-2-amine is sourced from PubChem (CID 59866768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).