N-tert-butyl-2-methyl-3-(3-methylimidazol-4-yl)prop-2-en-1-amine

C12H21N3 — CID 79340131

IUPACN-tert-butyl-2-methyl-3-(3-methylimidazol-4-yl)prop-2-en-1-amine
SMILESCC(=Cc1cncn1C)CNC(C)(C)C
InChIInChI=1S/C12H21N3/c1-10(7-14-12(2,3)4)6-11-8-13-9-15(11)5/h6,8-9,14H,7H2,1-5H3
InChIKeyJCILXTPJNGCKGO-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.21
Rot. Bonds3

About N-tert-butyl-2-methyl-3-(3-methylimidazol-4-yl)prop-2-en-1-amine

N-tert-butyl-2-methyl-3-(3-methylimidazol-4-yl)prop-2-en-1-amine (PubChem CID 79340131) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is N-tert-butyl-2-methyl-3-(3-methylimidazol-4-yl)prop-2-en-1-amine.

Molecular Properties

Compound NameN-tert-butyl-2-methyl-3-(3-methylimidazol-4-yl)prop-2-en-1-amine
PubChem CID79340131
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC NameN-tert-butyl-2-methyl-3-(3-methylimidazol-4-yl)prop-2-en-1-amine
SMILESCC(=Cc1cncn1C)CNC(C)(C)C
InChIInChI=1S/C12H21N3/c1-10(7-14-12(2,3)4)6-11-8-13-9-15(11)5/h6,8-9,14H,7H2,1-5H3
InChIKeyJCILXTPJNGCKGO-UHFFFAOYSA-N
XLogP2.21
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-methyl-3-(3-methylimidazol-4-yl)prop-2-en-1-amine?
The IUPAC name of N-tert-butyl-2-methyl-3-(3-methylimidazol-4-yl)prop-2-en-1-amine (CID 79340131) is N-tert-butyl-2-methyl-3-(3-methylimidazol-4-yl)prop-2-en-1-amine.
What is the SMILES notation for N-tert-butyl-2-methyl-3-(3-methylimidazol-4-yl)prop-2-en-1-amine?
The canonical SMILES for N-tert-butyl-2-methyl-3-(3-methylimidazol-4-yl)prop-2-en-1-amine is CC(=Cc1cncn1C)CNC(C)(C)C.
What is the InChIKey of N-tert-butyl-2-methyl-3-(3-methylimidazol-4-yl)prop-2-en-1-amine?
The InChIKey is JCILXTPJNGCKGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3/c1-10(7-14-12(2,3)4)6-11-8-13-9-15(11)5/h6,8-9,14H,7H2,1-5H3.
What are the key properties of N-tert-butyl-2-methyl-3-(3-methylimidazol-4-yl)prop-2-en-1-amine?
N-tert-butyl-2-methyl-3-(3-methylimidazol-4-yl)prop-2-en-1-amine has a molecular weight of 207.32 g/mol, XLogP of 2.21, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-methyl-3-(3-methylimidazol-4-yl)prop-2-en-1-amine is sourced from PubChem (CID 79340131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).