[1-[1-(3-methoxypropyl)-4-methylimidazol-2-yl]piperidin-2-yl]methanamine

C14H26N4O — CID 106552257

IUPAC[1-[1-(3-methoxypropyl)-4-methylimidazol-2-yl]piperidin-2-yl]methanamine
SMILESCOCCCn1cc(C)nc1N1CCCCC1CN
InChIInChI=1S/C14H26N4O/c1-12-11-17(7-5-9-19-2)14(16-12)18-8-4-3-6-13(18)10-15/h11,13H,3-10,15H2,1-2H3
InChIKeyBZHCHCLOUSIQSJ-UHFFFAOYSA-N
MW266.39 g/mol
LogP1.55
Rot. Bonds6

About [1-[1-(3-methoxypropyl)-4-methylimidazol-2-yl]piperidin-2-yl]methanamine

[1-[1-(3-methoxypropyl)-4-methylimidazol-2-yl]piperidin-2-yl]methanamine (PubChem CID 106552257) has the molecular formula C14H26N4O and a molecular weight of 266.39 g/mol. Its IUPAC name is [1-[1-(3-methoxypropyl)-4-methylimidazol-2-yl]piperidin-2-yl]methanamine.

Molecular Properties

Compound Name[1-[1-(3-methoxypropyl)-4-methylimidazol-2-yl]piperidin-2-yl]methanamine
PubChem CID106552257
Molecular FormulaC14H26N4O
Molecular Weight266.39 g/mol
Exact Mass266.21
IUPAC Name[1-[1-(3-methoxypropyl)-4-methylimidazol-2-yl]piperidin-2-yl]methanamine
SMILESCOCCCn1cc(C)nc1N1CCCCC1CN
InChIInChI=1S/C14H26N4O/c1-12-11-17(7-5-9-19-2)14(16-12)18-8-4-3-6-13(18)10-15/h11,13H,3-10,15H2,1-2H3
InChIKeyBZHCHCLOUSIQSJ-UHFFFAOYSA-N
XLogP1.55
TPSA56.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[1-(3-methoxypropyl)-4-methylimidazol-2-yl]pyrrolidin-3-amine
CID 106552448
[1-(4-methyl-1-prop-2-enylimidazol-2-yl)pyrrolidin-2-yl]methanamine
CID 106553383
[1-(4-methoxybutyl)piperidin-2-yl]methanamine
CID 115741337
N-cyclopropyl-1-(3-methoxypropyl)-4-methylimidazol-2-amine
CID 106554952
1-[1-[1-(3-ethoxypropyl)-4-methylimidazol-2-yl]pyrrolidin-3-yl]ethanamine
CID 106553671
1-(3-ethoxypropyl)-4-methyl-N-[(1-methylpiperidin-2-yl)methyl]imidazol-2-amine
CID 106565251
(3aS,6aS)-1-[1-(2-methoxyethyl)-4-methylimidazol-2-yl]-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole
CID 106551915
N-(2-cyclohexylethyl)-1-(3-methoxypropyl)-4-methylimidazol-2-amine
CID 106563359
N-(3-methoxypropyl)-4-methyl-1-(3-pyrrolidin-1-ylpropyl)imidazol-2-amine
CID 106572086
1-[1-[1-(1-methoxypropan-2-yl)-4-methylimidazol-2-yl]pyrrolidin-2-yl]-N-methylmethanamine
CID 106553545
1-[1-(3-ethoxypropyl)-4-methylimidazol-2-yl]-4-methylpiperidin-3-amine
CID 106552827
1-[1-(2-methoxyethyl)-4-methylimidazol-2-yl]-4-methylpyrrolidin-3-amine
CID 106554015

Frequently Asked Questions

What is the IUPAC name of [1-[1-(3-methoxypropyl)-4-methylimidazol-2-yl]piperidin-2-yl]methanamine?
The IUPAC name of [1-[1-(3-methoxypropyl)-4-methylimidazol-2-yl]piperidin-2-yl]methanamine (CID 106552257) is [1-[1-(3-methoxypropyl)-4-methylimidazol-2-yl]piperidin-2-yl]methanamine.
What is the SMILES notation for [1-[1-(3-methoxypropyl)-4-methylimidazol-2-yl]piperidin-2-yl]methanamine?
The canonical SMILES for [1-[1-(3-methoxypropyl)-4-methylimidazol-2-yl]piperidin-2-yl]methanamine is COCCCn1cc(C)nc1N1CCCCC1CN.
What is the InChIKey of [1-[1-(3-methoxypropyl)-4-methylimidazol-2-yl]piperidin-2-yl]methanamine?
The InChIKey is BZHCHCLOUSIQSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O/c1-12-11-17(7-5-9-19-2)14(16-12)18-8-4-3-6-13(18)10-15/h11,13H,3-10,15H2,1-2H3.
What are the key properties of [1-[1-(3-methoxypropyl)-4-methylimidazol-2-yl]piperidin-2-yl]methanamine?
[1-[1-(3-methoxypropyl)-4-methylimidazol-2-yl]piperidin-2-yl]methanamine has a molecular weight of 266.39 g/mol, XLogP of 1.55, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[1-(3-methoxypropyl)-4-methylimidazol-2-yl]piperidin-2-yl]methanamine is sourced from PubChem (CID 106552257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).