N-(2-imidazol-1-yl-3-methoxypropyl)-2-methylpropan-1-amine

C11H21N3O — CID 103227496

IUPACN-(2-imidazol-1-yl-3-methoxypropyl)-2-methylpropan-1-amine
SMILESCOCC(CNCC(C)C)n1ccnc1
InChIInChI=1S/C11H21N3O/c1-10(2)6-13-7-11(8-15-3)14-5-4-12-9-14/h4-5,9-11,13H,6-8H2,1-3H3
InChIKeyXVSUIMNQLDLMCF-UHFFFAOYSA-N
MW211.31 g/mol
LogP1.32
Rot. Bonds7

About N-(2-imidazol-1-yl-3-methoxypropyl)-2-methylpropan-1-amine

N-(2-imidazol-1-yl-3-methoxypropyl)-2-methylpropan-1-amine (PubChem CID 103227496) has the molecular formula C11H21N3O and a molecular weight of 211.31 g/mol. Its IUPAC name is N-(2-imidazol-1-yl-3-methoxypropyl)-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-(2-imidazol-1-yl-3-methoxypropyl)-2-methylpropan-1-amine
PubChem CID103227496
Molecular FormulaC11H21N3O
Molecular Weight211.31 g/mol
Exact Mass211.17
IUPAC NameN-(2-imidazol-1-yl-3-methoxypropyl)-2-methylpropan-1-amine
SMILESCOCC(CNCC(C)C)n1ccnc1
InChIInChI=1S/C11H21N3O/c1-10(2)6-13-7-11(8-15-3)14-5-4-12-9-14/h4-5,9-11,13H,6-8H2,1-3H3
InChIKeyXVSUIMNQLDLMCF-UHFFFAOYSA-N
XLogP1.32
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-imidazol-1-yl-3-methoxypropyl)-2-methylpropan-1-amine?
The IUPAC name of N-(2-imidazol-1-yl-3-methoxypropyl)-2-methylpropan-1-amine (CID 103227496) is N-(2-imidazol-1-yl-3-methoxypropyl)-2-methylpropan-1-amine.
What is the SMILES notation for N-(2-imidazol-1-yl-3-methoxypropyl)-2-methylpropan-1-amine?
The canonical SMILES for N-(2-imidazol-1-yl-3-methoxypropyl)-2-methylpropan-1-amine is COCC(CNCC(C)C)n1ccnc1.
What is the InChIKey of N-(2-imidazol-1-yl-3-methoxypropyl)-2-methylpropan-1-amine?
The InChIKey is XVSUIMNQLDLMCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O/c1-10(2)6-13-7-11(8-15-3)14-5-4-12-9-14/h4-5,9-11,13H,6-8H2,1-3H3.
What are the key properties of N-(2-imidazol-1-yl-3-methoxypropyl)-2-methylpropan-1-amine?
N-(2-imidazol-1-yl-3-methoxypropyl)-2-methylpropan-1-amine has a molecular weight of 211.31 g/mol, XLogP of 1.32, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-imidazol-1-yl-3-methoxypropyl)-2-methylpropan-1-amine is sourced from PubChem (CID 103227496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).