N-(2-imidazol-1-ylethyl)-2-(1-methylpiperidin-2-yl)ethanamine

C13H24N4 — CID 55024503

IUPACN-(2-imidazol-1-ylethyl)-2-(1-methylpiperidin-2-yl)ethanamine
SMILESCN1CCCCC1CCNCCn1ccnc1
InChIInChI=1S/C13H24N4/c1-16-9-3-2-4-13(16)5-6-14-7-10-17-11-8-15-12-17/h8,11-14H,2-7,9-10H2,1H3
InChIKeyOGCBRRFJQJGUNB-UHFFFAOYSA-N
MW236.36 g/mol
LogP1.35
Rot. Bonds6

About N-(2-imidazol-1-ylethyl)-2-(1-methylpiperidin-2-yl)ethanamine

N-(2-imidazol-1-ylethyl)-2-(1-methylpiperidin-2-yl)ethanamine (PubChem CID 55024503) has the molecular formula C13H24N4 and a molecular weight of 236.36 g/mol. Its IUPAC name is N-(2-imidazol-1-ylethyl)-2-(1-methylpiperidin-2-yl)ethanamine.

Molecular Properties

Compound NameN-(2-imidazol-1-ylethyl)-2-(1-methylpiperidin-2-yl)ethanamine
PubChem CID55024503
Molecular FormulaC13H24N4
Molecular Weight236.36 g/mol
Exact Mass236.20
IUPAC NameN-(2-imidazol-1-ylethyl)-2-(1-methylpiperidin-2-yl)ethanamine
SMILESCN1CCCCC1CCNCCn1ccnc1
InChIInChI=1S/C13H24N4/c1-16-9-3-2-4-13(16)5-6-14-7-10-17-11-8-15-12-17/h8,11-14H,2-7,9-10H2,1H3
InChIKeyOGCBRRFJQJGUNB-UHFFFAOYSA-N
XLogP1.35
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(1-methylpiperidin-2-yl)-N-(pyridin-4-ylmethyl)ethanamine
CID 60684733
N-(2-imidazol-1-ylethyl)-2-(oxolan-2-yl)ethanamine
CID 65164054
N-ethyl-2-(1-methylpiperidin-2-yl)ethanamine
CID 60685781
N-(3-imidazol-1-ylpropyl)-3-(2-methylpiperidin-1-yl)propan-1-amine
CID 61494653
3-bromo-N-[2-(1-methylpiperidin-2-yl)ethyl]propan-1-amine
CID 107913859
3-cyclopentyl-N-(3-imidazol-1-ylpropyl)propan-1-amine
CID 114136924
2-imidazol-1-yl-N-[(1-methylpiperidin-4-yl)methyl]ethanamine
CID 62659083
4-iodo-N-[2-(1-methylpiperidin-2-yl)ethyl]butan-1-amine
CID 107914068
4-methyl-N-[2-(1-methylpiperidin-2-yl)ethyl]pentan-1-amine
CID 62414508
2-[[2-(1-methylpiperidin-2-yl)ethylamino]methyl]cyclohexan-1-ol
CID 64912841
N-[2-[2-(1-methylpiperidin-2-yl)ethylamino]ethyl]methanesulfonamide
CID 55066683
N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-(1-methylpiperidin-2-yl)ethanamine
CID 62416479

Frequently Asked Questions

What is the IUPAC name of N-(2-imidazol-1-ylethyl)-2-(1-methylpiperidin-2-yl)ethanamine?
The IUPAC name of N-(2-imidazol-1-ylethyl)-2-(1-methylpiperidin-2-yl)ethanamine (CID 55024503) is N-(2-imidazol-1-ylethyl)-2-(1-methylpiperidin-2-yl)ethanamine.
What is the SMILES notation for N-(2-imidazol-1-ylethyl)-2-(1-methylpiperidin-2-yl)ethanamine?
The canonical SMILES for N-(2-imidazol-1-ylethyl)-2-(1-methylpiperidin-2-yl)ethanamine is CN1CCCCC1CCNCCn1ccnc1.
What is the InChIKey of N-(2-imidazol-1-ylethyl)-2-(1-methylpiperidin-2-yl)ethanamine?
The InChIKey is OGCBRRFJQJGUNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4/c1-16-9-3-2-4-13(16)5-6-14-7-10-17-11-8-15-12-17/h8,11-14H,2-7,9-10H2,1H3.
What are the key properties of N-(2-imidazol-1-ylethyl)-2-(1-methylpiperidin-2-yl)ethanamine?
N-(2-imidazol-1-ylethyl)-2-(1-methylpiperidin-2-yl)ethanamine has a molecular weight of 236.36 g/mol, XLogP of 1.35, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-imidazol-1-ylethyl)-2-(1-methylpiperidin-2-yl)ethanamine is sourced from PubChem (CID 55024503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).