N,3,3-trimethyl-N-[(1-methylimidazol-2-yl)methyl]butan-1-amine

C12H23N3 — CID 75485195

IUPACN,3,3-trimethyl-N-[(1-methylimidazol-2-yl)methyl]butan-1-amine
SMILESCN(CCC(C)(C)C)Cc1nccn1C
InChIInChI=1S/C12H23N3/c1-12(2,3)6-8-14(4)10-11-13-7-9-15(11)5/h7,9H,6,8,10H2,1-5H3
InChIKeyVFEHMDDMXJSKDN-UHFFFAOYSA-N
MW209.34 g/mol
LogP2.29
Rot. Bonds4

About N,3,3-trimethyl-N-[(1-methylimidazol-2-yl)methyl]butan-1-amine

N,3,3-trimethyl-N-[(1-methylimidazol-2-yl)methyl]butan-1-amine (PubChem CID 75485195) has the molecular formula C12H23N3 and a molecular weight of 209.34 g/mol. Its IUPAC name is N,3,3-trimethyl-N-[(1-methylimidazol-2-yl)methyl]butan-1-amine.

Molecular Properties

Compound NameN,3,3-trimethyl-N-[(1-methylimidazol-2-yl)methyl]butan-1-amine
PubChem CID75485195
Molecular FormulaC12H23N3
Molecular Weight209.34 g/mol
Exact Mass209.19
IUPAC NameN,3,3-trimethyl-N-[(1-methylimidazol-2-yl)methyl]butan-1-amine
SMILESCN(CCC(C)(C)C)Cc1nccn1C
InChIInChI=1S/C12H23N3/c1-12(2,3)6-8-14(4)10-11-13-7-9-15(11)5/h7,9H,6,8,10H2,1-5H3
InChIKeyVFEHMDDMXJSKDN-UHFFFAOYSA-N
XLogP2.29
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.34
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,3,3-trimethyl-N-[(1-methylimidazol-2-yl)methyl]butan-1-amine?
The IUPAC name of N,3,3-trimethyl-N-[(1-methylimidazol-2-yl)methyl]butan-1-amine (CID 75485195) is N,3,3-trimethyl-N-[(1-methylimidazol-2-yl)methyl]butan-1-amine.
What is the SMILES notation for N,3,3-trimethyl-N-[(1-methylimidazol-2-yl)methyl]butan-1-amine?
The canonical SMILES for N,3,3-trimethyl-N-[(1-methylimidazol-2-yl)methyl]butan-1-amine is CN(CCC(C)(C)C)Cc1nccn1C.
What is the InChIKey of N,3,3-trimethyl-N-[(1-methylimidazol-2-yl)methyl]butan-1-amine?
The InChIKey is VFEHMDDMXJSKDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3/c1-12(2,3)6-8-14(4)10-11-13-7-9-15(11)5/h7,9H,6,8,10H2,1-5H3.
What are the key properties of N,3,3-trimethyl-N-[(1-methylimidazol-2-yl)methyl]butan-1-amine?
N,3,3-trimethyl-N-[(1-methylimidazol-2-yl)methyl]butan-1-amine has a molecular weight of 209.34 g/mol, XLogP of 2.29, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,3,3-trimethyl-N-[(1-methylimidazol-2-yl)methyl]butan-1-amine is sourced from PubChem (CID 75485195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).