N-(1-imidazol-1-ylpropan-2-yl)-6-oxaspiro[4.5]decan-9-amine

C15H25N3O — CID 79895086

IUPACN-(1-imidazol-1-ylpropan-2-yl)-6-oxaspiro[4.5]decan-9-amine
SMILESCC(Cn1ccnc1)NC1CCOC2(CCCC2)C1
InChIInChI=1S/C15H25N3O/c1-13(11-18-8-7-16-12-18)17-14-4-9-19-15(10-14)5-2-3-6-15/h7-8,12-14,17H,2-6,9-11H2,1H3
InChIKeyUHYDZWPRHUNFMR-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.35
Rot. Bonds4

About N-(1-imidazol-1-ylpropan-2-yl)-6-oxaspiro[4.5]decan-9-amine

N-(1-imidazol-1-ylpropan-2-yl)-6-oxaspiro[4.5]decan-9-amine (PubChem CID 79895086) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is N-(1-imidazol-1-ylpropan-2-yl)-6-oxaspiro[4.5]decan-9-amine.

Molecular Properties

Compound NameN-(1-imidazol-1-ylpropan-2-yl)-6-oxaspiro[4.5]decan-9-amine
PubChem CID79895086
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC NameN-(1-imidazol-1-ylpropan-2-yl)-6-oxaspiro[4.5]decan-9-amine
SMILESCC(Cn1ccnc1)NC1CCOC2(CCCC2)C1
InChIInChI=1S/C15H25N3O/c1-13(11-18-8-7-16-12-18)17-14-4-9-19-15(10-14)5-2-3-6-15/h7-8,12-14,17H,2-6,9-11H2,1H3
InChIKeyUHYDZWPRHUNFMR-UHFFFAOYSA-N
XLogP2.35
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-piperidin-1-ylpropan-2-yl)-5-oxaspiro[3.5]nonan-8-amine
CID 79895087
N-(1-imidazol-1-ylpropan-2-yl)thian-4-amine
CID 43435651
1-(4-imidazol-1-ylbutyl)-3-(1-oxaspiro[5.5]undecan-4-yl)urea
CID 86769676
N-(1-cyclopropylpropan-2-yl)-1-oxaspiro[5.5]undecan-4-amine
CID 79904048
N-(1-imidazol-1-ylpropan-2-yl)-3-methylcyclobutan-1-amine
CID 104859674
(4S)-N-(3-imidazol-1-ylpropyl)-1,9-dioxaspiro[5.5]undecan-4-amine
CID 96579257
N-(4-methylhexan-2-yl)-6-oxaspiro[4.5]decan-9-amine
CID 79903303
N-(1-imidazol-1-ylpropan-2-yl)-2,2,5,5-tetramethyloxolan-3-amine
CID 79927780
N-(1-imidazol-1-ylpropan-2-yl)-4-propylcycloheptan-1-amine
CID 65091735
N-heptan-2-yl-5-oxaspiro[3.5]nonan-8-amine
CID 79895651
N-[4-(furan-2-yl)butan-2-yl]-1-oxaspiro[5.5]undecan-4-amine
CID 79899013
N-(2-imidazol-1-ylethyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine
CID 79895433

Frequently Asked Questions

What is the IUPAC name of N-(1-imidazol-1-ylpropan-2-yl)-6-oxaspiro[4.5]decan-9-amine?
The IUPAC name of N-(1-imidazol-1-ylpropan-2-yl)-6-oxaspiro[4.5]decan-9-amine (CID 79895086) is N-(1-imidazol-1-ylpropan-2-yl)-6-oxaspiro[4.5]decan-9-amine.
What is the SMILES notation for N-(1-imidazol-1-ylpropan-2-yl)-6-oxaspiro[4.5]decan-9-amine?
The canonical SMILES for N-(1-imidazol-1-ylpropan-2-yl)-6-oxaspiro[4.5]decan-9-amine is CC(Cn1ccnc1)NC1CCOC2(CCCC2)C1.
What is the InChIKey of N-(1-imidazol-1-ylpropan-2-yl)-6-oxaspiro[4.5]decan-9-amine?
The InChIKey is UHYDZWPRHUNFMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-13(11-18-8-7-16-12-18)17-14-4-9-19-15(10-14)5-2-3-6-15/h7-8,12-14,17H,2-6,9-11H2,1H3.
What are the key properties of N-(1-imidazol-1-ylpropan-2-yl)-6-oxaspiro[4.5]decan-9-amine?
N-(1-imidazol-1-ylpropan-2-yl)-6-oxaspiro[4.5]decan-9-amine has a molecular weight of 263.38 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-imidazol-1-ylpropan-2-yl)-6-oxaspiro[4.5]decan-9-amine is sourced from PubChem (CID 79895086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).