2-methyl-N-[[2-methyl-3-(3-methylbutyl)imidazol-4-yl]methyl]propan-2-amine

C14H27N3 — CID 65172070

IUPAC2-methyl-N-[[2-methyl-3-(3-methylbutyl)imidazol-4-yl]methyl]propan-2-amine
SMILESCc1ncc(CNC(C)(C)C)n1CCC(C)C
InChIInChI=1S/C14H27N3/c1-11(2)7-8-17-12(3)15-9-13(17)10-16-14(4,5)6/h9,11,16H,7-8,10H2,1-6H3
InChIKeyJIGWGPXOOYLTCU-UHFFFAOYSA-N
MW237.39 g/mol
LogP3.13
Rot. Bonds5

About 2-methyl-N-[[2-methyl-3-(3-methylbutyl)imidazol-4-yl]methyl]propan-2-amine

2-methyl-N-[[2-methyl-3-(3-methylbutyl)imidazol-4-yl]methyl]propan-2-amine (PubChem CID 65172070) has the molecular formula C14H27N3 and a molecular weight of 237.39 g/mol. Its IUPAC name is 2-methyl-N-[[2-methyl-3-(3-methylbutyl)imidazol-4-yl]methyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[[2-methyl-3-(3-methylbutyl)imidazol-4-yl]methyl]propan-2-amine
PubChem CID65172070
Molecular FormulaC14H27N3
Molecular Weight237.39 g/mol
Exact Mass237.22
IUPAC Name2-methyl-N-[[2-methyl-3-(3-methylbutyl)imidazol-4-yl]methyl]propan-2-amine
SMILESCc1ncc(CNC(C)(C)C)n1CCC(C)C
InChIInChI=1S/C14H27N3/c1-11(2)7-8-17-12(3)15-9-13(17)10-16-14(4,5)6/h9,11,16H,7-8,10H2,1-6H3
InChIKeyJIGWGPXOOYLTCU-UHFFFAOYSA-N
XLogP3.13
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[2-methyl-3-(3-methylbutyl)imidazol-4-yl]methyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[[2-methyl-3-(3-methylbutyl)imidazol-4-yl]methyl]propan-2-amine (CID 65172070) is 2-methyl-N-[[2-methyl-3-(3-methylbutyl)imidazol-4-yl]methyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[[2-methyl-3-(3-methylbutyl)imidazol-4-yl]methyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[[2-methyl-3-(3-methylbutyl)imidazol-4-yl]methyl]propan-2-amine is Cc1ncc(CNC(C)(C)C)n1CCC(C)C.
What is the InChIKey of 2-methyl-N-[[2-methyl-3-(3-methylbutyl)imidazol-4-yl]methyl]propan-2-amine?
The InChIKey is JIGWGPXOOYLTCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3/c1-11(2)7-8-17-12(3)15-9-13(17)10-16-14(4,5)6/h9,11,16H,7-8,10H2,1-6H3.
What are the key properties of 2-methyl-N-[[2-methyl-3-(3-methylbutyl)imidazol-4-yl]methyl]propan-2-amine?
2-methyl-N-[[2-methyl-3-(3-methylbutyl)imidazol-4-yl]methyl]propan-2-amine has a molecular weight of 237.39 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[2-methyl-3-(3-methylbutyl)imidazol-4-yl]methyl]propan-2-amine is sourced from PubChem (CID 65172070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).