1-[3-imidazol-1-ylpropyl(methyl)amino]propan-2-ol

C10H19N3O — CID 62334128

IUPAC1-[3-imidazol-1-ylpropyl(methyl)amino]propan-2-ol
SMILESCC(O)CN(C)CCCn1ccnc1
InChIInChI=1S/C10H19N3O/c1-10(14)8-12(2)5-3-6-13-7-4-11-9-13/h4,7,9-10,14H,3,5-6,8H2,1-2H3
InChIKeyKMHGYDLNEAOEEP-UHFFFAOYSA-N
MW197.28 g/mol
LogP0.59
Rot. Bonds6

About 1-[3-imidazol-1-ylpropyl(methyl)amino]propan-2-ol

1-[3-imidazol-1-ylpropyl(methyl)amino]propan-2-ol (PubChem CID 62334128) has the molecular formula C10H19N3O and a molecular weight of 197.28 g/mol. Its IUPAC name is 1-[3-imidazol-1-ylpropyl(methyl)amino]propan-2-ol.

Molecular Properties

Compound Name1-[3-imidazol-1-ylpropyl(methyl)amino]propan-2-ol
PubChem CID62334128
Molecular FormulaC10H19N3O
Molecular Weight197.28 g/mol
Exact Mass197.15
IUPAC Name1-[3-imidazol-1-ylpropyl(methyl)amino]propan-2-ol
SMILESCC(O)CN(C)CCCn1ccnc1
InChIInChI=1S/C10H19N3O/c1-10(14)8-12(2)5-3-6-13-7-4-11-9-13/h4,7,9-10,14H,3,5-6,8H2,1-2H3
InChIKeyKMHGYDLNEAOEEP-UHFFFAOYSA-N
XLogP0.59
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[3-imidazol-1-ylpropyl(methyl)amino]propanoic acid
CID 61492835
2-bromo-N-(3-imidazol-1-ylpropyl)-N-methylprop-2-en-1-amine
CID 75435415
N'-(3-imidazol-1-ylpropyl)-N'-methylpentane-1,5-diamine
CID 107207249
3-[2,3-dihydroxypropyl(3-imidazol-1-ylpropyl)amino]propane-1,2-diol
CID 71321684
2-[3-imidazol-1-ylpropyl(methyl)amino]-N,N-dimethylpropanamide
CID 84592025
2-[3-imidazol-1-ylpropyl(2-methylpropyl)amino]acetic acid
CID 63065726
1-(7-methyloctyl)imidazole
CID 59001100
N-(3-bromopropyl)-3-imidazol-1-yl-N-propan-2-ylpropan-1-amine
CID 80679358
3-[[3-imidazol-1-ylpropyl(methyl)amino]methyl]phenol
CID 71176034
N'-hydroxy-3-[3-imidazol-1-ylpropyl(2-methylpropyl)amino]propanimidamide
CID 76917250
6-imidazol-1-ylhexan-3-ol
CID 106802503
3-[3-[3-imidazol-1-ylpropyl(methyl)amino]propanoyloxy]butyl butanoate
CID 23596950

Frequently Asked Questions

What is the IUPAC name of 1-[3-imidazol-1-ylpropyl(methyl)amino]propan-2-ol?
The IUPAC name of 1-[3-imidazol-1-ylpropyl(methyl)amino]propan-2-ol (CID 62334128) is 1-[3-imidazol-1-ylpropyl(methyl)amino]propan-2-ol.
What is the SMILES notation for 1-[3-imidazol-1-ylpropyl(methyl)amino]propan-2-ol?
The canonical SMILES for 1-[3-imidazol-1-ylpropyl(methyl)amino]propan-2-ol is CC(O)CN(C)CCCn1ccnc1.
What is the InChIKey of 1-[3-imidazol-1-ylpropyl(methyl)amino]propan-2-ol?
The InChIKey is KMHGYDLNEAOEEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O/c1-10(14)8-12(2)5-3-6-13-7-4-11-9-13/h4,7,9-10,14H,3,5-6,8H2,1-2H3.
What are the key properties of 1-[3-imidazol-1-ylpropyl(methyl)amino]propan-2-ol?
1-[3-imidazol-1-ylpropyl(methyl)amino]propan-2-ol has a molecular weight of 197.28 g/mol, XLogP of 0.59, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-imidazol-1-ylpropyl(methyl)amino]propan-2-ol is sourced from PubChem (CID 62334128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).