1-(3-methoxypropyl)-N-methyl-N-(piperidin-4-ylmethyl)imidazol-2-amine

C14H26N4O — CID 106553025

IUPAC1-(3-methoxypropyl)-N-methyl-N-(piperidin-4-ylmethyl)imidazol-2-amine
SMILESCOCCCn1ccnc1N(C)CC1CCNCC1
InChIInChI=1S/C14H26N4O/c1-17(12-13-4-6-15-7-5-13)14-16-8-10-18(14)9-3-11-19-2/h8,10,13,15H,3-7,9,11-12H2,1-2H3
InChIKeyJYFPURNNISFAAW-UHFFFAOYSA-N
MW266.39 g/mol
LogP1.36
Rot. Bonds7

About 1-(3-methoxypropyl)-N-methyl-N-(piperidin-4-ylmethyl)imidazol-2-amine

1-(3-methoxypropyl)-N-methyl-N-(piperidin-4-ylmethyl)imidazol-2-amine (PubChem CID 106553025) has the molecular formula C14H26N4O and a molecular weight of 266.39 g/mol. Its IUPAC name is 1-(3-methoxypropyl)-N-methyl-N-(piperidin-4-ylmethyl)imidazol-2-amine.

Molecular Properties

Compound Name1-(3-methoxypropyl)-N-methyl-N-(piperidin-4-ylmethyl)imidazol-2-amine
PubChem CID106553025
Molecular FormulaC14H26N4O
Molecular Weight266.39 g/mol
Exact Mass266.21
IUPAC Name1-(3-methoxypropyl)-N-methyl-N-(piperidin-4-ylmethyl)imidazol-2-amine
SMILESCOCCCn1ccnc1N(C)CC1CCNCC1
InChIInChI=1S/C14H26N4O/c1-17(12-13-4-6-15-7-5-13)14-16-8-10-18(14)9-3-11-19-2/h8,10,13,15H,3-7,9,11-12H2,1-2H3
InChIKeyJYFPURNNISFAAW-UHFFFAOYSA-N
XLogP1.36
TPSA42.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 51.36
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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Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxypropyl)-N-methyl-N-(piperidin-4-ylmethyl)imidazol-2-amine?
The IUPAC name of 1-(3-methoxypropyl)-N-methyl-N-(piperidin-4-ylmethyl)imidazol-2-amine (CID 106553025) is 1-(3-methoxypropyl)-N-methyl-N-(piperidin-4-ylmethyl)imidazol-2-amine.
What is the SMILES notation for 1-(3-methoxypropyl)-N-methyl-N-(piperidin-4-ylmethyl)imidazol-2-amine?
The canonical SMILES for 1-(3-methoxypropyl)-N-methyl-N-(piperidin-4-ylmethyl)imidazol-2-amine is COCCCn1ccnc1N(C)CC1CCNCC1.
What is the InChIKey of 1-(3-methoxypropyl)-N-methyl-N-(piperidin-4-ylmethyl)imidazol-2-amine?
The InChIKey is JYFPURNNISFAAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O/c1-17(12-13-4-6-15-7-5-13)14-16-8-10-18(14)9-3-11-19-2/h8,10,13,15H,3-7,9,11-12H2,1-2H3.
What are the key properties of 1-(3-methoxypropyl)-N-methyl-N-(piperidin-4-ylmethyl)imidazol-2-amine?
1-(3-methoxypropyl)-N-methyl-N-(piperidin-4-ylmethyl)imidazol-2-amine has a molecular weight of 266.39 g/mol, XLogP of 1.36, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxypropyl)-N-methyl-N-(piperidin-4-ylmethyl)imidazol-2-amine is sourced from PubChem (CID 106553025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).