1-[4-(dimethylamino)butyl]-4-methylimidazol-2-amine

C10H20N4 — CID 106565586

IUPAC1-[4-(dimethylamino)butyl]-4-methylimidazol-2-amine
SMILESCc1cn(CCCCN(C)C)c(N)n1
InChIInChI=1S/C10H20N4/c1-9-8-14(10(11)12-9)7-5-4-6-13(2)3/h8H,4-7H2,1-3H3,(H2,11,12)
InChIKeyPLXMIBBHIQVXHN-UHFFFAOYSA-N
MW196.30 g/mol
LogP1.12
Rot. Bonds5

About 1-[4-(dimethylamino)butyl]-4-methylimidazol-2-amine

1-[4-(dimethylamino)butyl]-4-methylimidazol-2-amine (PubChem CID 106565586) has the molecular formula C10H20N4 and a molecular weight of 196.30 g/mol. Its IUPAC name is 1-[4-(dimethylamino)butyl]-4-methylimidazol-2-amine.

Molecular Properties

Compound Name1-[4-(dimethylamino)butyl]-4-methylimidazol-2-amine
PubChem CID106565586
Molecular FormulaC10H20N4
Molecular Weight196.30 g/mol
Exact Mass196.17
IUPAC Name1-[4-(dimethylamino)butyl]-4-methylimidazol-2-amine
SMILESCc1cn(CCCCN(C)C)c(N)n1
InChIInChI=1S/C10H20N4/c1-9-8-14(10(11)12-9)7-5-4-6-13(2)3/h8H,4-7H2,1-3H3,(H2,11,12)
InChIKeyPLXMIBBHIQVXHN-UHFFFAOYSA-N
XLogP1.12
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.30
LogP ≤ 51.12
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-[4-(dimethylamino)butyl]-4-methylimidazol-2-amine?
The IUPAC name of 1-[4-(dimethylamino)butyl]-4-methylimidazol-2-amine (CID 106565586) is 1-[4-(dimethylamino)butyl]-4-methylimidazol-2-amine.
What is the SMILES notation for 1-[4-(dimethylamino)butyl]-4-methylimidazol-2-amine?
The canonical SMILES for 1-[4-(dimethylamino)butyl]-4-methylimidazol-2-amine is Cc1cn(CCCCN(C)C)c(N)n1.
What is the InChIKey of 1-[4-(dimethylamino)butyl]-4-methylimidazol-2-amine?
The InChIKey is PLXMIBBHIQVXHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4/c1-9-8-14(10(11)12-9)7-5-4-6-13(2)3/h8H,4-7H2,1-3H3,(H2,11,12).
What are the key properties of 1-[4-(dimethylamino)butyl]-4-methylimidazol-2-amine?
1-[4-(dimethylamino)butyl]-4-methylimidazol-2-amine has a molecular weight of 196.30 g/mol, XLogP of 1.12, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(dimethylamino)butyl]-4-methylimidazol-2-amine is sourced from PubChem (CID 106565586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).