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

C16H27N3O — CID 102900142

IUPACN-methyl-2-[1-(1-oxaspiro[4.5]decan-2-ylmethyl)imidazol-4-yl]ethanamine
SMILESCNCCc1cn(CC2CCC3(CCCCC3)O2)cn1
InChIInChI=1S/C16H27N3O/c1-17-10-6-14-11-19(13-18-14)12-15-5-9-16(20-15)7-3-2-4-8-16/h11,13,15,17H,2-10,12H2,1H3
InChIKeyQABARVCCMOWHSW-UHFFFAOYSA-N
MW277.41 g/mol
LogP2.53
Rot. Bonds5

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

N-methyl-2-[1-(1-oxaspiro[4.5]decan-2-ylmethyl)imidazol-4-yl]ethanamine (PubChem CID 102900142) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is N-methyl-2-[1-(1-oxaspiro[4.5]decan-2-ylmethyl)imidazol-4-yl]ethanamine.

Molecular Properties

Compound NameN-methyl-2-[1-(1-oxaspiro[4.5]decan-2-ylmethyl)imidazol-4-yl]ethanamine
PubChem CID102900142
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC NameN-methyl-2-[1-(1-oxaspiro[4.5]decan-2-ylmethyl)imidazol-4-yl]ethanamine
SMILESCNCCc1cn(CC2CCC3(CCCCC3)O2)cn1
InChIInChI=1S/C16H27N3O/c1-17-10-6-14-11-19(13-18-14)12-15-5-9-16(20-15)7-3-2-4-8-16/h11,13,15,17H,2-10,12H2,1H3
InChIKeyQABARVCCMOWHSW-UHFFFAOYSA-N
XLogP2.53
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-2-[1-(1-oxaspiro[4.5]decan-2-ylmethyl)imidazol-4-yl]ethanamine
CID 102900144
4-(chloromethyl)-1-(1-oxaspiro[4.5]decan-2-ylmethyl)imidazole
CID 106720824
2-[1-(2,3-dihydro-1-benzofuran-2-ylmethyl)imidazol-4-yl]-N-methylethanamine
CID 79984925
N-[[1-[(5,5-dimethyloxolan-2-yl)methyl]imidazol-4-yl]methyl]propan-1-amine
CID 106719072
1-(1-oxaspiro[4.5]decan-2-ylmethyl)imidazole
CID 102846457
2-[1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]imidazol-4-yl]-N-methylethanamine
CID 79985174
3,5-diethyl-1-(1-oxaspiro[4.5]decan-2-ylmethyl)pyrazole
CID 102901064
4-(2-chloroethyl)-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)triazole
CID 102900168
1-[1-(1-oxaspiro[4.4]nonan-2-ylmethyl)-1,2,4-triazol-3-yl]ethanamine
CID 102900151
N-methyl-1-(1-oxaspiro[4.4]nonan-2-yl)methanamine
CID 102896520
N-[[3-methyl-1-(1-oxaspiro[4.5]decan-2-ylmethyl)pyrazol-4-yl]methyl]ethanamine
CID 102901212
2-[1-(cyclopentylmethyl)imidazol-4-yl]-N-ethylethanamine
CID 79985662

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[1-(1-oxaspiro[4.5]decan-2-ylmethyl)imidazol-4-yl]ethanamine?
The IUPAC name of N-methyl-2-[1-(1-oxaspiro[4.5]decan-2-ylmethyl)imidazol-4-yl]ethanamine (CID 102900142) is N-methyl-2-[1-(1-oxaspiro[4.5]decan-2-ylmethyl)imidazol-4-yl]ethanamine.
What is the SMILES notation for N-methyl-2-[1-(1-oxaspiro[4.5]decan-2-ylmethyl)imidazol-4-yl]ethanamine?
The canonical SMILES for N-methyl-2-[1-(1-oxaspiro[4.5]decan-2-ylmethyl)imidazol-4-yl]ethanamine is CNCCc1cn(CC2CCC3(CCCCC3)O2)cn1.
What is the InChIKey of N-methyl-2-[1-(1-oxaspiro[4.5]decan-2-ylmethyl)imidazol-4-yl]ethanamine?
The InChIKey is QABARVCCMOWHSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-17-10-6-14-11-19(13-18-14)12-15-5-9-16(20-15)7-3-2-4-8-16/h11,13,15,17H,2-10,12H2,1H3.
What are the key properties of N-methyl-2-[1-(1-oxaspiro[4.5]decan-2-ylmethyl)imidazol-4-yl]ethanamine?
N-methyl-2-[1-(1-oxaspiro[4.5]decan-2-ylmethyl)imidazol-4-yl]ethanamine has a molecular weight of 277.41 g/mol, XLogP of 2.53, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[1-(1-oxaspiro[4.5]decan-2-ylmethyl)imidazol-4-yl]ethanamine is sourced from PubChem (CID 102900142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).