1-[(1-hexylpiperidin-4-yl)methyl]-4,5,5-trimethyl-4-(2-methylpropyl)imidazol-2-amine

C22H44N4 — CID 89155198

IUPAC1-[(1-hexylpiperidin-4-yl)methyl]-4,5,5-trimethyl-4-(2-methylpropyl)imidazol-2-amine
SMILESCCCCCCN1CCC(CN2C(N)=NC(C)(CC(C)C)C2(C)C)CC1
InChIInChI=1S/C22H44N4/c1-7-8-9-10-13-25-14-11-19(12-15-25)17-26-20(23)24-22(6,16-18(2)3)21(26,4)5/h18-19H,7-17H2,1-6H3,(H2,23,24)
InChIKeyTXODDPPWBJXFIG-UHFFFAOYSA-N
MW364.62 g/mol
LogP4.49
Rot. Bonds9

About 1-[(1-hexylpiperidin-4-yl)methyl]-4,5,5-trimethyl-4-(2-methylpropyl)imidazol-2-amine

1-[(1-hexylpiperidin-4-yl)methyl]-4,5,5-trimethyl-4-(2-methylpropyl)imidazol-2-amine (PubChem CID 89155198) has the molecular formula C22H44N4 and a molecular weight of 364.62 g/mol. Its IUPAC name is 1-[(1-hexylpiperidin-4-yl)methyl]-4,5,5-trimethyl-4-(2-methylpropyl)imidazol-2-amine.

Molecular Properties

Compound Name1-[(1-hexylpiperidin-4-yl)methyl]-4,5,5-trimethyl-4-(2-methylpropyl)imidazol-2-amine
PubChem CID89155198
Molecular FormulaC22H44N4
Molecular Weight364.62 g/mol
Exact Mass364.36
IUPAC Name1-[(1-hexylpiperidin-4-yl)methyl]-4,5,5-trimethyl-4-(2-methylpropyl)imidazol-2-amine
SMILESCCCCCCN1CCC(CN2C(N)=NC(C)(CC(C)C)C2(C)C)CC1
InChIInChI=1S/C22H44N4/c1-7-8-9-10-13-25-14-11-19(12-15-25)17-26-20(23)24-22(6,16-18(2)3)21(26,4)5/h18-19H,7-17H2,1-6H3,(H2,23,24)
InChIKeyTXODDPPWBJXFIG-UHFFFAOYSA-N
XLogP4.49
TPSA44.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.62
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-[(1-hexylpiperidin-4-yl)methyl]-4,5,5-trimethyl-4-(2-methylpropyl)imidazol-2-amine?
The IUPAC name of 1-[(1-hexylpiperidin-4-yl)methyl]-4,5,5-trimethyl-4-(2-methylpropyl)imidazol-2-amine (CID 89155198) is 1-[(1-hexylpiperidin-4-yl)methyl]-4,5,5-trimethyl-4-(2-methylpropyl)imidazol-2-amine.
What is the SMILES notation for 1-[(1-hexylpiperidin-4-yl)methyl]-4,5,5-trimethyl-4-(2-methylpropyl)imidazol-2-amine?
The canonical SMILES for 1-[(1-hexylpiperidin-4-yl)methyl]-4,5,5-trimethyl-4-(2-methylpropyl)imidazol-2-amine is CCCCCCN1CCC(CN2C(N)=NC(C)(CC(C)C)C2(C)C)CC1.
What is the InChIKey of 1-[(1-hexylpiperidin-4-yl)methyl]-4,5,5-trimethyl-4-(2-methylpropyl)imidazol-2-amine?
The InChIKey is TXODDPPWBJXFIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H44N4/c1-7-8-9-10-13-25-14-11-19(12-15-25)17-26-20(23)24-22(6,16-18(2)3)21(26,4)5/h18-19H,7-17H2,1-6H3,(H2,23,24).
What are the key properties of 1-[(1-hexylpiperidin-4-yl)methyl]-4,5,5-trimethyl-4-(2-methylpropyl)imidazol-2-amine?
1-[(1-hexylpiperidin-4-yl)methyl]-4,5,5-trimethyl-4-(2-methylpropyl)imidazol-2-amine has a molecular weight of 364.62 g/mol, XLogP of 4.49, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-hexylpiperidin-4-yl)methyl]-4,5,5-trimethyl-4-(2-methylpropyl)imidazol-2-amine is sourced from PubChem (CID 89155198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).