1-[1-(3-ethoxypropyl)imidazol-2-yl]-N-methylpiperidin-3-amine

C14H26N4O — CID 106552533

IUPAC1-[1-(3-ethoxypropyl)imidazol-2-yl]-N-methylpiperidin-3-amine
SMILESCCOCCCn1ccnc1N1CCCC(NC)C1
InChIInChI=1S/C14H26N4O/c1-3-19-11-5-9-17-10-7-16-14(17)18-8-4-6-13(12-18)15-2/h7,10,13,15H,3-6,8-9,11-12H2,1-2H3
InChIKeyNTHPLEMSILINKJ-UHFFFAOYSA-N
MW266.39 g/mol
LogP1.50
Rot. Bonds7

About 1-[1-(3-ethoxypropyl)imidazol-2-yl]-N-methylpiperidin-3-amine

1-[1-(3-ethoxypropyl)imidazol-2-yl]-N-methylpiperidin-3-amine (PubChem CID 106552533) has the molecular formula C14H26N4O and a molecular weight of 266.39 g/mol. Its IUPAC name is 1-[1-(3-ethoxypropyl)imidazol-2-yl]-N-methylpiperidin-3-amine.

Molecular Properties

Compound Name1-[1-(3-ethoxypropyl)imidazol-2-yl]-N-methylpiperidin-3-amine
PubChem CID106552533
Molecular FormulaC14H26N4O
Molecular Weight266.39 g/mol
Exact Mass266.21
IUPAC Name1-[1-(3-ethoxypropyl)imidazol-2-yl]-N-methylpiperidin-3-amine
SMILESCCOCCCn1ccnc1N1CCCC(NC)C1
InChIInChI=1S/C14H26N4O/c1-3-19-11-5-9-17-10-7-16-14(17)18-8-4-6-13(12-18)15-2/h7,10,13,15H,3-6,8-9,11-12H2,1-2H3
InChIKeyNTHPLEMSILINKJ-UHFFFAOYSA-N
XLogP1.50
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 ≤ 51.50
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-ethoxypropyl)imidazol-2-yl]pyrrolidin-3-amine
CID 106552450
N-methyl-1-(1-propylimidazol-2-yl)pyrrolidin-3-amine
CID 106553421
5-[1-(3-ethoxypropyl)imidazol-2-yl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 106553000
1-(1-ethylimidazol-2-yl)-N-methylpyrrolidin-3-amine
CID 115300867
(4aS,7aS)-6-[1-(3-ethoxypropyl)imidazol-2-yl]-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 106553811
1-(3-ethoxypropyl)-N-methylimidazol-2-amine
CID 106555069
N-methyl-1-(1-prop-2-enylimidazol-2-yl)pyrrolidin-3-amine
CID 106553425
3-ethyl-1-[1-(3-methoxypropyl)imidazol-2-yl]piperidin-4-amine
CID 106553250
1-(3-ethoxypropyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]imidazol-2-amine
CID 106559623
1-(3-ethoxypropyl)-N-(2-piperidin-1-ylethyl)imidazol-2-amine
CID 106565048
1-(4-ethyl-1-methylimidazol-2-yl)-N-methylpiperidin-3-amine
CID 106552545
(3R)-1-(1-butylimidazol-2-yl)-3-methylpiperazine
CID 106553921

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-ethoxypropyl)imidazol-2-yl]-N-methylpiperidin-3-amine?
The IUPAC name of 1-[1-(3-ethoxypropyl)imidazol-2-yl]-N-methylpiperidin-3-amine (CID 106552533) is 1-[1-(3-ethoxypropyl)imidazol-2-yl]-N-methylpiperidin-3-amine.
What is the SMILES notation for 1-[1-(3-ethoxypropyl)imidazol-2-yl]-N-methylpiperidin-3-amine?
The canonical SMILES for 1-[1-(3-ethoxypropyl)imidazol-2-yl]-N-methylpiperidin-3-amine is CCOCCCn1ccnc1N1CCCC(NC)C1.
What is the InChIKey of 1-[1-(3-ethoxypropyl)imidazol-2-yl]-N-methylpiperidin-3-amine?
The InChIKey is NTHPLEMSILINKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O/c1-3-19-11-5-9-17-10-7-16-14(17)18-8-4-6-13(12-18)15-2/h7,10,13,15H,3-6,8-9,11-12H2,1-2H3.
What are the key properties of 1-[1-(3-ethoxypropyl)imidazol-2-yl]-N-methylpiperidin-3-amine?
1-[1-(3-ethoxypropyl)imidazol-2-yl]-N-methylpiperidin-3-amine has a molecular weight of 266.39 g/mol, XLogP of 1.50, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-ethoxypropyl)imidazol-2-yl]-N-methylpiperidin-3-amine is sourced from PubChem (CID 106552533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).