N-[2,6-dioxaspiro[4.5]decan-9-yl-(3-methylimidazol-4-yl)methyl]propan-1-amine

C16H27N3O2 — CID 82888518

IUPACN-[2,6-dioxaspiro[4.5]decan-9-yl-(3-methylimidazol-4-yl)methyl]propan-1-amine
SMILESCCCNC(c1cncn1C)C1CCOC2(CCOC2)C1
InChIInChI=1S/C16H27N3O2/c1-3-6-18-15(14-10-17-12-19(14)2)13-4-7-21-16(9-13)5-8-20-11-16/h10,12-13,15,18H,3-9,11H2,1-2H3
InChIKeyNCWOLOMBNUNUPB-UHFFFAOYSA-N
MW293.41 g/mol
LogP2.05
Rot. Bonds5

About N-[2,6-dioxaspiro[4.5]decan-9-yl-(3-methylimidazol-4-yl)methyl]propan-1-amine

N-[2,6-dioxaspiro[4.5]decan-9-yl-(3-methylimidazol-4-yl)methyl]propan-1-amine (PubChem CID 82888518) has the molecular formula C16H27N3O2 and a molecular weight of 293.41 g/mol. Its IUPAC name is N-[2,6-dioxaspiro[4.5]decan-9-yl-(3-methylimidazol-4-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[2,6-dioxaspiro[4.5]decan-9-yl-(3-methylimidazol-4-yl)methyl]propan-1-amine
PubChem CID82888518
Molecular FormulaC16H27N3O2
Molecular Weight293.41 g/mol
Exact Mass293.21
IUPAC NameN-[2,6-dioxaspiro[4.5]decan-9-yl-(3-methylimidazol-4-yl)methyl]propan-1-amine
SMILESCCCNC(c1cncn1C)C1CCOC2(CCOC2)C1
InChIInChI=1S/C16H27N3O2/c1-3-6-18-15(14-10-17-12-19(14)2)13-4-7-21-16(9-13)5-8-20-11-16/h10,12-13,15,18H,3-9,11H2,1-2H3
InChIKeyNCWOLOMBNUNUPB-UHFFFAOYSA-N
XLogP2.05
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2,6-dioxaspiro[4.5]decan-9-yl(thiadiazol-5-yl)methyl]propan-1-amine
CID 105170342
N-[(5-bromofuran-2-yl)-(2,6-dioxaspiro[4.5]decan-9-yl)methyl]propan-1-amine
CID 105016988
2,6-dioxaspiro[4.5]decan-9-yl-(3-ethylimidazol-4-yl)methanol
CID 79912400
N-[(2-methylpyrazol-3-yl)-(6-oxaspiro[4.5]decan-9-yl)methyl]propan-1-amine
CID 105170255
[(3-methylimidazol-4-yl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methyl]hydrazine
CID 105264573
1-(2,6-dioxaspiro[4.5]decan-9-yl)-N-propylpropan-1-amine
CID 79915597
1-(2,6-dioxaspiro[4.5]decan-9-yl)-2,2-dimethyl-N-propylbutan-1-amine
CID 105017232
N-[(1-methylimidazol-4-yl)-(6-oxaspiro[4.5]decan-9-yl)methyl]propan-1-amine
CID 107976597
N-[1,9-dioxaspiro[5.5]undecan-4-yl(furan-2-yl)methyl]propan-1-amine
CID 79908966
4-(2,6-dioxaspiro[4.5]decan-9-yl)-N-propylpentan-2-amine
CID 79923010
N-[2,6-dioxaspiro[4.5]decan-9-yl-(2-methylcyclopentyl)methyl]propan-1-amine
CID 107190201
N-[2-cyclopropyl-1-(2,6-dioxaspiro[4.5]decan-9-yl)-2-methoxyethyl]propan-1-amine
CID 116722752

Frequently Asked Questions

What is the IUPAC name of N-[2,6-dioxaspiro[4.5]decan-9-yl-(3-methylimidazol-4-yl)methyl]propan-1-amine?
The IUPAC name of N-[2,6-dioxaspiro[4.5]decan-9-yl-(3-methylimidazol-4-yl)methyl]propan-1-amine (CID 82888518) is N-[2,6-dioxaspiro[4.5]decan-9-yl-(3-methylimidazol-4-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[2,6-dioxaspiro[4.5]decan-9-yl-(3-methylimidazol-4-yl)methyl]propan-1-amine?
The canonical SMILES for N-[2,6-dioxaspiro[4.5]decan-9-yl-(3-methylimidazol-4-yl)methyl]propan-1-amine is CCCNC(c1cncn1C)C1CCOC2(CCOC2)C1.
What is the InChIKey of N-[2,6-dioxaspiro[4.5]decan-9-yl-(3-methylimidazol-4-yl)methyl]propan-1-amine?
The InChIKey is NCWOLOMBNUNUPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O2/c1-3-6-18-15(14-10-17-12-19(14)2)13-4-7-21-16(9-13)5-8-20-11-16/h10,12-13,15,18H,3-9,11H2,1-2H3.
What are the key properties of N-[2,6-dioxaspiro[4.5]decan-9-yl-(3-methylimidazol-4-yl)methyl]propan-1-amine?
N-[2,6-dioxaspiro[4.5]decan-9-yl-(3-methylimidazol-4-yl)methyl]propan-1-amine has a molecular weight of 293.41 g/mol, XLogP of 2.05, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,6-dioxaspiro[4.5]decan-9-yl-(3-methylimidazol-4-yl)methyl]propan-1-amine is sourced from PubChem (CID 82888518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).