2-methoxy-N-[(3-propylimidazol-4-yl)methyl]propan-1-amine

C11H21N3O — CID 102696680

IUPAC2-methoxy-N-[(3-propylimidazol-4-yl)methyl]propan-1-amine
SMILESCCCn1cncc1CNCC(C)OC
InChIInChI=1S/C11H21N3O/c1-4-5-14-9-13-8-11(14)7-12-6-10(2)15-3/h8-10,12H,4-7H2,1-3H3
InChIKeyCVLMEPISDWYZAJ-UHFFFAOYSA-N
MW211.31 g/mol
LogP1.42
Rot. Bonds7

About 2-methoxy-N-[(3-propylimidazol-4-yl)methyl]propan-1-amine

2-methoxy-N-[(3-propylimidazol-4-yl)methyl]propan-1-amine (PubChem CID 102696680) has the molecular formula C11H21N3O and a molecular weight of 211.31 g/mol. Its IUPAC name is 2-methoxy-N-[(3-propylimidazol-4-yl)methyl]propan-1-amine.

Molecular Properties

Compound Name2-methoxy-N-[(3-propylimidazol-4-yl)methyl]propan-1-amine
PubChem CID102696680
Molecular FormulaC11H21N3O
Molecular Weight211.31 g/mol
Exact Mass211.17
IUPAC Name2-methoxy-N-[(3-propylimidazol-4-yl)methyl]propan-1-amine
SMILESCCCn1cncc1CNCC(C)OC
InChIInChI=1S/C11H21N3O/c1-4-5-14-9-13-8-11(14)7-12-6-10(2)15-3/h8-10,12H,4-7H2,1-3H3
InChIKeyCVLMEPISDWYZAJ-UHFFFAOYSA-N
XLogP1.42
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 ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[3-(2-methoxypropyl)imidazol-4-yl]methyl]ethanamine
CID 102701714
3-ethyl-1-[(3-propylimidazol-4-yl)methylamino]pentan-2-ol
CID 106284688
1-(4-ethylphenyl)-N-[(3-propylimidazol-4-yl)methyl]methanamine
CID 106899534
N-propan-2-yl-2-[(3-propylimidazol-4-yl)methylamino]acetamide
CID 66132937
2-(3-methylbutoxy)-N-[(3-propylimidazol-4-yl)methyl]ethanamine
CID 66130579
N'-methyl-N'-propan-2-yl-N-[(3-propylimidazol-4-yl)methyl]butane-1,4-diamine
CID 66131380
N-[[3-(2-propan-2-yloxyethyl)imidazol-4-yl]methyl]propan-1-amine
CID 104766858
methyl (2S)-3-methyl-2-[(3-propylimidazol-4-yl)methylamino]butanoate
CID 66130342
N-[[3-[2-(dimethylamino)ethyl]imidazol-4-yl]methyl]-2-methylpropan-1-amine
CID 66146061
5-methyl-N-[(3-propylimidazol-4-yl)methyl]hexan-2-amine
CID 66133962
N-[(3-propylimidazol-4-yl)methyl]but-3-yn-1-amine
CID 66130391
[4-[[(3-propylimidazol-4-yl)methylamino]methyl]phenyl]methanol
CID 107230142

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[(3-propylimidazol-4-yl)methyl]propan-1-amine?
The IUPAC name of 2-methoxy-N-[(3-propylimidazol-4-yl)methyl]propan-1-amine (CID 102696680) is 2-methoxy-N-[(3-propylimidazol-4-yl)methyl]propan-1-amine.
What is the SMILES notation for 2-methoxy-N-[(3-propylimidazol-4-yl)methyl]propan-1-amine?
The canonical SMILES for 2-methoxy-N-[(3-propylimidazol-4-yl)methyl]propan-1-amine is CCCn1cncc1CNCC(C)OC.
What is the InChIKey of 2-methoxy-N-[(3-propylimidazol-4-yl)methyl]propan-1-amine?
The InChIKey is CVLMEPISDWYZAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O/c1-4-5-14-9-13-8-11(14)7-12-6-10(2)15-3/h8-10,12H,4-7H2,1-3H3.
What are the key properties of 2-methoxy-N-[(3-propylimidazol-4-yl)methyl]propan-1-amine?
2-methoxy-N-[(3-propylimidazol-4-yl)methyl]propan-1-amine has a molecular weight of 211.31 g/mol, XLogP of 1.42, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[(3-propylimidazol-4-yl)methyl]propan-1-amine is sourced from PubChem (CID 102696680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).