N-butyl-1-[(1-methylpiperidin-2-yl)methyl]imidazol-2-amine

C14H26N4 — CID 106565244

IUPACN-butyl-1-[(1-methylpiperidin-2-yl)methyl]imidazol-2-amine
SMILESCCCCNc1nccn1CC1CCCCN1C
InChIInChI=1S/C14H26N4/c1-3-4-8-15-14-16-9-11-18(14)12-13-7-5-6-10-17(13)2/h9,11,13H,3-8,10,12H2,1-2H3,(H,15,16)
InChIKeyIYKXFVJSLBLWAI-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.58
Rot. Bonds6

About N-butyl-1-[(1-methylpiperidin-2-yl)methyl]imidazol-2-amine

N-butyl-1-[(1-methylpiperidin-2-yl)methyl]imidazol-2-amine (PubChem CID 106565244) has the molecular formula C14H26N4 and a molecular weight of 250.39 g/mol. Its IUPAC name is N-butyl-1-[(1-methylpiperidin-2-yl)methyl]imidazol-2-amine.

Molecular Properties

Compound NameN-butyl-1-[(1-methylpiperidin-2-yl)methyl]imidazol-2-amine
PubChem CID106565244
Molecular FormulaC14H26N4
Molecular Weight250.39 g/mol
Exact Mass250.22
IUPAC NameN-butyl-1-[(1-methylpiperidin-2-yl)methyl]imidazol-2-amine
SMILESCCCCNc1nccn1CC1CCCCN1C
InChIInChI=1S/C14H26N4/c1-3-4-8-15-14-16-9-11-18(14)12-13-7-5-6-10-17(13)2/h9,11,13H,3-8,10,12H2,1-2H3,(H,15,16)
InChIKeyIYKXFVJSLBLWAI-UHFFFAOYSA-N
XLogP2.58
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 52.58
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 N-butyl-1-[(1-methylpiperidin-2-yl)methyl]imidazol-2-amine?
The IUPAC name of N-butyl-1-[(1-methylpiperidin-2-yl)methyl]imidazol-2-amine (CID 106565244) is N-butyl-1-[(1-methylpiperidin-2-yl)methyl]imidazol-2-amine.
What is the SMILES notation for N-butyl-1-[(1-methylpiperidin-2-yl)methyl]imidazol-2-amine?
The canonical SMILES for N-butyl-1-[(1-methylpiperidin-2-yl)methyl]imidazol-2-amine is CCCCNc1nccn1CC1CCCCN1C.
What is the InChIKey of N-butyl-1-[(1-methylpiperidin-2-yl)methyl]imidazol-2-amine?
The InChIKey is IYKXFVJSLBLWAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4/c1-3-4-8-15-14-16-9-11-18(14)12-13-7-5-6-10-17(13)2/h9,11,13H,3-8,10,12H2,1-2H3,(H,15,16).
What are the key properties of N-butyl-1-[(1-methylpiperidin-2-yl)methyl]imidazol-2-amine?
N-butyl-1-[(1-methylpiperidin-2-yl)methyl]imidazol-2-amine has a molecular weight of 250.39 g/mol, XLogP of 2.58, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-1-[(1-methylpiperidin-2-yl)methyl]imidazol-2-amine is sourced from PubChem (CID 106565244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).