N-(1H-imidazol-2-ylmethyl)-4-methoxy-4-methylpentan-2-amine

C11H21N3O — CID 64531008

IUPACN-(1H-imidazol-2-ylmethyl)-4-methoxy-4-methylpentan-2-amine
SMILESCOC(C)(C)CC(C)NCc1ncc[nH]1
InChIInChI=1S/C11H21N3O/c1-9(7-11(2,3)15-4)14-8-10-12-5-6-13-10/h5-6,9,14H,7-8H2,1-4H3,(H,12,13)
InChIKeyJJRMHLPRFZUATH-UHFFFAOYSA-N
MW211.31 g/mol
LogP1.70
Rot. Bonds6

About N-(1H-imidazol-2-ylmethyl)-4-methoxy-4-methylpentan-2-amine

N-(1H-imidazol-2-ylmethyl)-4-methoxy-4-methylpentan-2-amine (PubChem CID 64531008) has the molecular formula C11H21N3O and a molecular weight of 211.31 g/mol. Its IUPAC name is N-(1H-imidazol-2-ylmethyl)-4-methoxy-4-methylpentan-2-amine.

Molecular Properties

Compound NameN-(1H-imidazol-2-ylmethyl)-4-methoxy-4-methylpentan-2-amine
PubChem CID64531008
Molecular FormulaC11H21N3O
Molecular Weight211.31 g/mol
Exact Mass211.17
IUPAC NameN-(1H-imidazol-2-ylmethyl)-4-methoxy-4-methylpentan-2-amine
SMILESCOC(C)(C)CC(C)NCc1ncc[nH]1
InChIInChI=1S/C11H21N3O/c1-9(7-11(2,3)15-4)14-8-10-12-5-6-13-10/h5-6,9,14H,7-8H2,1-4H3,(H,12,13)
InChIKeyJJRMHLPRFZUATH-UHFFFAOYSA-N
XLogP1.70
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1H-imidazol-2-ylmethyl)-4-methoxy-4-methylpentan-2-amine?
The IUPAC name of N-(1H-imidazol-2-ylmethyl)-4-methoxy-4-methylpentan-2-amine (CID 64531008) is N-(1H-imidazol-2-ylmethyl)-4-methoxy-4-methylpentan-2-amine.
What is the SMILES notation for N-(1H-imidazol-2-ylmethyl)-4-methoxy-4-methylpentan-2-amine?
The canonical SMILES for N-(1H-imidazol-2-ylmethyl)-4-methoxy-4-methylpentan-2-amine is COC(C)(C)CC(C)NCc1ncc[nH]1.
What is the InChIKey of N-(1H-imidazol-2-ylmethyl)-4-methoxy-4-methylpentan-2-amine?
The InChIKey is JJRMHLPRFZUATH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O/c1-9(7-11(2,3)15-4)14-8-10-12-5-6-13-10/h5-6,9,14H,7-8H2,1-4H3,(H,12,13).
What are the key properties of N-(1H-imidazol-2-ylmethyl)-4-methoxy-4-methylpentan-2-amine?
N-(1H-imidazol-2-ylmethyl)-4-methoxy-4-methylpentan-2-amine has a molecular weight of 211.31 g/mol, XLogP of 1.70, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-imidazol-2-ylmethyl)-4-methoxy-4-methylpentan-2-amine is sourced from PubChem (CID 64531008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).