1-hexyl-3-methylimidazolidine

C10H22N2 — CID 58835588

IUPAC1-hexyl-3-methylimidazolidine
SMILESCCCCCCN1CCN(C)C1
InChIInChI=1S/C10H22N2/c1-3-4-5-6-7-12-9-8-11(2)10-12/h3-10H2,1-2H3
InChIKeyPBOCMQKRBQPNAJ-UHFFFAOYSA-N
MW170.30 g/mol
LogP1.77
Rot. Bonds5

About 1-hexyl-3-methylimidazolidine

1-hexyl-3-methylimidazolidine (PubChem CID 58835588) has the molecular formula C10H22N2 and a molecular weight of 170.30 g/mol. Its IUPAC name is 1-hexyl-3-methylimidazolidine.

Molecular Properties

Compound Name1-hexyl-3-methylimidazolidine
PubChem CID58835588
Molecular FormulaC10H22N2
Molecular Weight170.30 g/mol
Exact Mass170.18
IUPAC Name1-hexyl-3-methylimidazolidine
SMILESCCCCCCN1CCN(C)C1
InChIInChI=1S/C10H22N2/c1-3-4-5-6-7-12-9-8-11(2)10-12/h3-10H2,1-2H3
InChIKeyPBOCMQKRBQPNAJ-UHFFFAOYSA-N
XLogP1.77
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.30
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 1-hexyl-3-methylimidazolidine?
The IUPAC name of 1-hexyl-3-methylimidazolidine (CID 58835588) is 1-hexyl-3-methylimidazolidine.
What is the SMILES notation for 1-hexyl-3-methylimidazolidine?
The canonical SMILES for 1-hexyl-3-methylimidazolidine is CCCCCCN1CCN(C)C1.
What is the InChIKey of 1-hexyl-3-methylimidazolidine?
The InChIKey is PBOCMQKRBQPNAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2/c1-3-4-5-6-7-12-9-8-11(2)10-12/h3-10H2,1-2H3.
What are the key properties of 1-hexyl-3-methylimidazolidine?
1-hexyl-3-methylimidazolidine has a molecular weight of 170.30 g/mol, XLogP of 1.77, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hexyl-3-methylimidazolidine is sourced from PubChem (CID 58835588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).