N-ethyl-2-[1-(1-oxaspiro[4.5]decan-2-ylmethyl)imidazol-4-yl]ethanamine

C17H29N3O — CID 102900144

IUPACN-ethyl-2-[1-(1-oxaspiro[4.5]decan-2-ylmethyl)imidazol-4-yl]ethanamine
SMILESCCNCCc1cn(CC2CCC3(CCCCC3)O2)cn1
InChIInChI=1S/C17H29N3O/c1-2-18-11-7-15-12-20(14-19-15)13-16-6-10-17(21-16)8-4-3-5-9-17/h12,14,16,18H,2-11,13H2,1H3
InChIKeyNRTYVFZSKSRQDS-UHFFFAOYSA-N
MW291.44 g/mol
LogP2.92
Rot. Bonds6

About N-ethyl-2-[1-(1-oxaspiro[4.5]decan-2-ylmethyl)imidazol-4-yl]ethanamine

N-ethyl-2-[1-(1-oxaspiro[4.5]decan-2-ylmethyl)imidazol-4-yl]ethanamine (PubChem CID 102900144) has the molecular formula C17H29N3O and a molecular weight of 291.44 g/mol. Its IUPAC name is N-ethyl-2-[1-(1-oxaspiro[4.5]decan-2-ylmethyl)imidazol-4-yl]ethanamine.

Molecular Properties

Compound NameN-ethyl-2-[1-(1-oxaspiro[4.5]decan-2-ylmethyl)imidazol-4-yl]ethanamine
PubChem CID102900144
Molecular FormulaC17H29N3O
Molecular Weight291.44 g/mol
Exact Mass291.23
IUPAC NameN-ethyl-2-[1-(1-oxaspiro[4.5]decan-2-ylmethyl)imidazol-4-yl]ethanamine
SMILESCCNCCc1cn(CC2CCC3(CCCCC3)O2)cn1
InChIInChI=1S/C17H29N3O/c1-2-18-11-7-15-12-20(14-19-15)13-16-6-10-17(21-16)8-4-3-5-9-17/h12,14,16,18H,2-11,13H2,1H3
InChIKeyNRTYVFZSKSRQDS-UHFFFAOYSA-N
XLogP2.92
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 52.92
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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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[1-(1-oxaspiro[4.5]decan-2-ylmethyl)imidazol-4-yl]ethanamine?
The IUPAC name of N-ethyl-2-[1-(1-oxaspiro[4.5]decan-2-ylmethyl)imidazol-4-yl]ethanamine (CID 102900144) is N-ethyl-2-[1-(1-oxaspiro[4.5]decan-2-ylmethyl)imidazol-4-yl]ethanamine.
What is the SMILES notation for N-ethyl-2-[1-(1-oxaspiro[4.5]decan-2-ylmethyl)imidazol-4-yl]ethanamine?
The canonical SMILES for N-ethyl-2-[1-(1-oxaspiro[4.5]decan-2-ylmethyl)imidazol-4-yl]ethanamine is CCNCCc1cn(CC2CCC3(CCCCC3)O2)cn1.
What is the InChIKey of N-ethyl-2-[1-(1-oxaspiro[4.5]decan-2-ylmethyl)imidazol-4-yl]ethanamine?
The InChIKey is NRTYVFZSKSRQDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O/c1-2-18-11-7-15-12-20(14-19-15)13-16-6-10-17(21-16)8-4-3-5-9-17/h12,14,16,18H,2-11,13H2,1H3.
What are the key properties of N-ethyl-2-[1-(1-oxaspiro[4.5]decan-2-ylmethyl)imidazol-4-yl]ethanamine?
N-ethyl-2-[1-(1-oxaspiro[4.5]decan-2-ylmethyl)imidazol-4-yl]ethanamine has a molecular weight of 291.44 g/mol, XLogP of 2.92, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[1-(1-oxaspiro[4.5]decan-2-ylmethyl)imidazol-4-yl]ethanamine is sourced from PubChem (CID 102900144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).