N-tert-butyl-3-methyl-3-(1-methylimidazol-2-yl)butan-1-amine

C13H25N3 — CID 81023446

IUPACN-tert-butyl-3-methyl-3-(1-methylimidazol-2-yl)butan-1-amine
SMILESCn1ccnc1C(C)(C)CCNC(C)(C)C
InChIInChI=1S/C13H25N3/c1-12(2,3)15-8-7-13(4,5)11-14-9-10-16(11)6/h9-10,15H,7-8H2,1-6H3
InChIKeyYLOKVYCWCUMGJN-UHFFFAOYSA-N
MW223.36 g/mol
LogP2.48
Rot. Bonds4

About N-tert-butyl-3-methyl-3-(1-methylimidazol-2-yl)butan-1-amine

N-tert-butyl-3-methyl-3-(1-methylimidazol-2-yl)butan-1-amine (PubChem CID 81023446) has the molecular formula C13H25N3 and a molecular weight of 223.36 g/mol. Its IUPAC name is N-tert-butyl-3-methyl-3-(1-methylimidazol-2-yl)butan-1-amine.

Molecular Properties

Compound NameN-tert-butyl-3-methyl-3-(1-methylimidazol-2-yl)butan-1-amine
PubChem CID81023446
Molecular FormulaC13H25N3
Molecular Weight223.36 g/mol
Exact Mass223.20
IUPAC NameN-tert-butyl-3-methyl-3-(1-methylimidazol-2-yl)butan-1-amine
SMILESCn1ccnc1C(C)(C)CCNC(C)(C)C
InChIInChI=1S/C13H25N3/c1-12(2,3)15-8-7-13(4,5)11-14-9-10-16(11)6/h9-10,15H,7-8H2,1-6H3
InChIKeyYLOKVYCWCUMGJN-UHFFFAOYSA-N
XLogP2.48
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-methyl-3-(1-methylimidazol-2-yl)butan-1-amine?
The IUPAC name of N-tert-butyl-3-methyl-3-(1-methylimidazol-2-yl)butan-1-amine (CID 81023446) is N-tert-butyl-3-methyl-3-(1-methylimidazol-2-yl)butan-1-amine.
What is the SMILES notation for N-tert-butyl-3-methyl-3-(1-methylimidazol-2-yl)butan-1-amine?
The canonical SMILES for N-tert-butyl-3-methyl-3-(1-methylimidazol-2-yl)butan-1-amine is Cn1ccnc1C(C)(C)CCNC(C)(C)C.
What is the InChIKey of N-tert-butyl-3-methyl-3-(1-methylimidazol-2-yl)butan-1-amine?
The InChIKey is YLOKVYCWCUMGJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3/c1-12(2,3)15-8-7-13(4,5)11-14-9-10-16(11)6/h9-10,15H,7-8H2,1-6H3.
What are the key properties of N-tert-butyl-3-methyl-3-(1-methylimidazol-2-yl)butan-1-amine?
N-tert-butyl-3-methyl-3-(1-methylimidazol-2-yl)butan-1-amine has a molecular weight of 223.36 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-methyl-3-(1-methylimidazol-2-yl)butan-1-amine is sourced from PubChem (CID 81023446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).