N-(1-imidazol-1-ylpropan-2-yl)-4-methoxy-4-methylpentan-2-amine

C13H25N3O — CID 43749590

IUPACN-(1-imidazol-1-ylpropan-2-yl)-4-methoxy-4-methylpentan-2-amine
SMILESCOC(C)(C)CC(C)NC(C)Cn1ccnc1
InChIInChI=1S/C13H25N3O/c1-11(8-13(3,4)17-5)15-12(2)9-16-7-6-14-10-16/h6-7,10-12,15H,8-9H2,1-5H3
InChIKeyJNKFEWYHGZAKAR-UHFFFAOYSA-N
MW239.36 g/mol
LogP2.06
Rot. Bonds7

About N-(1-imidazol-1-ylpropan-2-yl)-4-methoxy-4-methylpentan-2-amine

N-(1-imidazol-1-ylpropan-2-yl)-4-methoxy-4-methylpentan-2-amine (PubChem CID 43749590) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is N-(1-imidazol-1-ylpropan-2-yl)-4-methoxy-4-methylpentan-2-amine.

Molecular Properties

Compound NameN-(1-imidazol-1-ylpropan-2-yl)-4-methoxy-4-methylpentan-2-amine
PubChem CID43749590
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC NameN-(1-imidazol-1-ylpropan-2-yl)-4-methoxy-4-methylpentan-2-amine
SMILESCOC(C)(C)CC(C)NC(C)Cn1ccnc1
InChIInChI=1S/C13H25N3O/c1-11(8-13(3,4)17-5)15-12(2)9-16-7-6-14-10-16/h6-7,10-12,15H,8-9H2,1-5H3
InChIKeyJNKFEWYHGZAKAR-UHFFFAOYSA-N
XLogP2.06
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-imidazol-1-ylpropan-2-yl)-4-methoxy-4-methylpentan-2-amine?
The IUPAC name of N-(1-imidazol-1-ylpropan-2-yl)-4-methoxy-4-methylpentan-2-amine (CID 43749590) is N-(1-imidazol-1-ylpropan-2-yl)-4-methoxy-4-methylpentan-2-amine.
What is the SMILES notation for N-(1-imidazol-1-ylpropan-2-yl)-4-methoxy-4-methylpentan-2-amine?
The canonical SMILES for N-(1-imidazol-1-ylpropan-2-yl)-4-methoxy-4-methylpentan-2-amine is COC(C)(C)CC(C)NC(C)Cn1ccnc1.
What is the InChIKey of N-(1-imidazol-1-ylpropan-2-yl)-4-methoxy-4-methylpentan-2-amine?
The InChIKey is JNKFEWYHGZAKAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O/c1-11(8-13(3,4)17-5)15-12(2)9-16-7-6-14-10-16/h6-7,10-12,15H,8-9H2,1-5H3.
What are the key properties of N-(1-imidazol-1-ylpropan-2-yl)-4-methoxy-4-methylpentan-2-amine?
N-(1-imidazol-1-ylpropan-2-yl)-4-methoxy-4-methylpentan-2-amine has a molecular weight of 239.36 g/mol, XLogP of 2.06, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-imidazol-1-ylpropan-2-yl)-4-methoxy-4-methylpentan-2-amine is sourced from PubChem (CID 43749590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).