(2R)-N-(3-imidazol-1-ylpropyl)-1-methoxypropan-2-amine

C10H19N3O — CID 94210912

IUPAC(2R)-N-(3-imidazol-1-ylpropyl)-1-methoxypropan-2-amine
SMILESCOC[C@@H](C)NCCCn1ccnc1
InChIInChI=1S/C10H19N3O/c1-10(8-14-2)12-4-3-6-13-7-5-11-9-13/h5,7,9-10,12H,3-4,6,8H2,1-2H3/t10-/m1/s1
InChIKeyCIMGRTKHTQEFAL-SNVBAGLBSA-N
MW197.28 g/mol
LogP0.90
Rot. Bonds7

About (2R)-N-(3-imidazol-1-ylpropyl)-1-methoxypropan-2-amine

(2R)-N-(3-imidazol-1-ylpropyl)-1-methoxypropan-2-amine (PubChem CID 94210912) has the molecular formula C10H19N3O and a molecular weight of 197.28 g/mol. Its IUPAC name is (2R)-N-(3-imidazol-1-ylpropyl)-1-methoxypropan-2-amine.

Molecular Properties

Compound Name(2R)-N-(3-imidazol-1-ylpropyl)-1-methoxypropan-2-amine
PubChem CID94210912
Molecular FormulaC10H19N3O
Molecular Weight197.28 g/mol
Exact Mass197.15
IUPAC Name(2R)-N-(3-imidazol-1-ylpropyl)-1-methoxypropan-2-amine
SMILESCOC[C@@H](C)NCCCn1ccnc1
InChIInChI=1S/C10H19N3O/c1-10(8-14-2)12-4-3-6-13-7-5-11-9-13/h5,7,9-10,12H,3-4,6,8H2,1-2H3/t10-/m1/s1
InChIKeyCIMGRTKHTQEFAL-SNVBAGLBSA-N
XLogP0.90
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(3-imidazol-1-ylpropyl)-3-[(2S)-1-methoxypropan-2-yl]thiourea
CID 40519952
methyl 2-(3-imidazol-1-ylpropylamino)-3-methylbutanoate
CID 54961185
6-N-(3-imidazol-1-ylpropyl)-4-N-(1-methoxypropan-2-yl)pyrimidine-4,5,6-triamine
CID 19154120
N-(3-imidazol-1-ylpropyl)-2-methylpentan-3-amine
CID 43773808
3-imidazol-1-yl-N-[(1R)-1-(4-methoxyphenyl)ethyl]propan-1-amine
CID 28993976
N-(1-cyclopropylethyl)-3-imidazol-1-ylpropan-1-amine
CID 43126800
N-[(1R)-1-cyclopropylethyl]-3-imidazol-1-ylpropan-1-amine
CID 28993992
1-bromo-N-(3-imidazol-1-ylpropyl)-3-methylbutan-2-amine
CID 107859114
N-(3-imidazol-1-ylpropyl)-2-methoxypropan-1-amine
CID 102698134
2-(2-imidazol-1-ylethyl)-1-(1-methoxypropan-2-yl)guanidine
CID 111030816
1-(4-chlorophenyl)-N-(3-imidazol-1-ylpropyl)propan-2-amine
CID 57069299
(2S)-N-(3-imidazol-1-ylpropyl)-1-(2-methylphenyl)propan-2-amine
CID 97228959

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(3-imidazol-1-ylpropyl)-1-methoxypropan-2-amine?
The IUPAC name of (2R)-N-(3-imidazol-1-ylpropyl)-1-methoxypropan-2-amine (CID 94210912) is (2R)-N-(3-imidazol-1-ylpropyl)-1-methoxypropan-2-amine.
What is the SMILES notation for (2R)-N-(3-imidazol-1-ylpropyl)-1-methoxypropan-2-amine?
The canonical SMILES for (2R)-N-(3-imidazol-1-ylpropyl)-1-methoxypropan-2-amine is COC[C@@H](C)NCCCn1ccnc1.
What is the InChIKey of (2R)-N-(3-imidazol-1-ylpropyl)-1-methoxypropan-2-amine?
The InChIKey is CIMGRTKHTQEFAL-SNVBAGLBSA-N. The full InChI is InChI=1S/C10H19N3O/c1-10(8-14-2)12-4-3-6-13-7-5-11-9-13/h5,7,9-10,12H,3-4,6,8H2,1-2H3/t10-/m1/s1.
What are the key properties of (2R)-N-(3-imidazol-1-ylpropyl)-1-methoxypropan-2-amine?
(2R)-N-(3-imidazol-1-ylpropyl)-1-methoxypropan-2-amine has a molecular weight of 197.28 g/mol, XLogP of 0.90, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(3-imidazol-1-ylpropyl)-1-methoxypropan-2-amine is sourced from PubChem (CID 94210912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).