N-(1H-imidazol-2-ylmethyl)-1-(2-methylpropoxy)propan-2-amine

C11H21N3O — CID 115618900

IUPACN-(1H-imidazol-2-ylmethyl)-1-(2-methylpropoxy)propan-2-amine
SMILESCC(C)COCC(C)NCc1ncc[nH]1
InChIInChI=1S/C11H21N3O/c1-9(2)7-15-8-10(3)14-6-11-12-4-5-13-11/h4-5,9-10,14H,6-8H2,1-3H3,(H,12,13)
InChIKeyKZDWOAYMKOYULV-UHFFFAOYSA-N
MW211.31 g/mol
LogP1.56
Rot. Bonds7

About N-(1H-imidazol-2-ylmethyl)-1-(2-methylpropoxy)propan-2-amine

N-(1H-imidazol-2-ylmethyl)-1-(2-methylpropoxy)propan-2-amine (PubChem CID 115618900) has the molecular formula C11H21N3O and a molecular weight of 211.31 g/mol. Its IUPAC name is N-(1H-imidazol-2-ylmethyl)-1-(2-methylpropoxy)propan-2-amine.

Molecular Properties

Compound NameN-(1H-imidazol-2-ylmethyl)-1-(2-methylpropoxy)propan-2-amine
PubChem CID115618900
Molecular FormulaC11H21N3O
Molecular Weight211.31 g/mol
Exact Mass211.17
IUPAC NameN-(1H-imidazol-2-ylmethyl)-1-(2-methylpropoxy)propan-2-amine
SMILESCC(C)COCC(C)NCc1ncc[nH]1
InChIInChI=1S/C11H21N3O/c1-9(2)7-15-8-10(3)14-6-11-12-4-5-13-11/h4-5,9-10,14H,6-8H2,1-3H3,(H,12,13)
InChIKeyKZDWOAYMKOYULV-UHFFFAOYSA-N
XLogP1.56
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1H-Imidazole, 2-(diethoxymethyl)-
CID 566401
2-(ethoxymethyl)-1H-imidazole
CID 15043882
2-(Methoxymethyl)-1H-imidazole
CID 15043884
4-(1H-imidazol-2-ylmethyl)morpholine
CID 272246
2-(dimethoxymethyl)-1H-imidazole
CID 11789305
Morpholine, 4-(1H-imidazol-2-yl)-
CID 22918961
o-[(1h-Imidazol-2-yl)methyl]hydroxylamine
CID 23132361
2-(1H-imidazol-2-yl)-4,5-dihydro-1,3-oxazole
CID 57464635
Diisopropylimidazolium bromide
CID 66586948
Vinyl oxymethylimidazole
CID 66899006
Diisopropyl imidazolium chloride
CID 68424230
2-(1-methoxyethyl)-3-methyl-1H-imidazol-3-ium
CID 69811396

Frequently Asked Questions

What is the IUPAC name of N-(1H-imidazol-2-ylmethyl)-1-(2-methylpropoxy)propan-2-amine?
The IUPAC name of N-(1H-imidazol-2-ylmethyl)-1-(2-methylpropoxy)propan-2-amine (CID 115618900) is N-(1H-imidazol-2-ylmethyl)-1-(2-methylpropoxy)propan-2-amine.
What is the SMILES notation for N-(1H-imidazol-2-ylmethyl)-1-(2-methylpropoxy)propan-2-amine?
The canonical SMILES for N-(1H-imidazol-2-ylmethyl)-1-(2-methylpropoxy)propan-2-amine is CC(C)COCC(C)NCc1ncc[nH]1.
What is the InChIKey of N-(1H-imidazol-2-ylmethyl)-1-(2-methylpropoxy)propan-2-amine?
The InChIKey is KZDWOAYMKOYULV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O/c1-9(2)7-15-8-10(3)14-6-11-12-4-5-13-11/h4-5,9-10,14H,6-8H2,1-3H3,(H,12,13).
What are the key properties of N-(1H-imidazol-2-ylmethyl)-1-(2-methylpropoxy)propan-2-amine?
N-(1H-imidazol-2-ylmethyl)-1-(2-methylpropoxy)propan-2-amine has a molecular weight of 211.31 g/mol, XLogP of 1.56, 7 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)-1-(2-methylpropoxy)propan-2-amine is sourced from PubChem (CID 115618900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).