N-[2-(1-methylimidazol-2-yl)ethyl]-1,4-dioxaspiro[4.5]decan-8-amine

C14H23N3O2 — CID 61215283

IUPACN-[2-(1-methylimidazol-2-yl)ethyl]-1,4-dioxaspiro[4.5]decan-8-amine
SMILESCn1ccnc1CCNC1CCC2(CC1)OCCO2
InChIInChI=1S/C14H23N3O2/c1-17-9-8-16-13(17)4-7-15-12-2-5-14(6-3-12)18-10-11-19-14/h8-9,12,15H,2-7,10-11H2,1H3
InChIKeyOAXSDEKWBAXWLV-UHFFFAOYSA-N
MW265.36 g/mol
LogP1.24
Rot. Bonds4

About N-[2-(1-methylimidazol-2-yl)ethyl]-1,4-dioxaspiro[4.5]decan-8-amine

N-[2-(1-methylimidazol-2-yl)ethyl]-1,4-dioxaspiro[4.5]decan-8-amine (PubChem CID 61215283) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is N-[2-(1-methylimidazol-2-yl)ethyl]-1,4-dioxaspiro[4.5]decan-8-amine.

Molecular Properties

Compound NameN-[2-(1-methylimidazol-2-yl)ethyl]-1,4-dioxaspiro[4.5]decan-8-amine
PubChem CID61215283
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC NameN-[2-(1-methylimidazol-2-yl)ethyl]-1,4-dioxaspiro[4.5]decan-8-amine
SMILESCn1ccnc1CCNC1CCC2(CC1)OCCO2
InChIInChI=1S/C14H23N3O2/c1-17-9-8-16-13(17)4-7-15-12-2-5-14(6-3-12)18-10-11-19-14/h8-9,12,15H,2-7,10-11H2,1H3
InChIKeyOAXSDEKWBAXWLV-UHFFFAOYSA-N
XLogP1.24
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(1-methylimidazol-2-yl)ethyl]cyclooctanamine
CID 61214993
2,2-diethyl-N-[2-(1-methylimidazol-2-yl)ethyl]oxan-4-amine
CID 114527733
4-ethyl-N-[2-(1-methylimidazol-2-yl)ethyl]cyclohexan-1-amine
CID 61214727
N-[2-(1-methylimidazol-2-yl)ethyl]-6-oxa-2-thiaspiro[4.5]decan-9-amine
CID 79894810
3-chloro-N-[2-(1-methylimidazol-2-yl)ethyl]cyclobutan-1-amine
CID 114531771
3-ethyl-N-[2-(1-methylimidazol-2-yl)ethyl]cyclopentan-1-amine
CID 64501340
3-(4-bromophenyl)-N-[2-(1-methylimidazol-2-yl)ethyl]cyclobutan-1-amine
CID 61211079
N-[2-(1-methylimidazol-2-yl)ethyl]-2,3-dihydro-1H-inden-2-amine
CID 61210136
N-(2-pyrazol-1-ylethyl)-1,4-dioxaspiro[4.5]decan-8-amine
CID 54951074
1,2-dimethyl-N-[2-(1-methylimidazol-2-yl)ethyl]piperidin-4-amine
CID 81344994
N-[3-methyl-5-(1-methylimidazol-2-yl)pentyl]cyclopropanamine
CID 114532982
N-[2-(1-methylimidazol-2-yl)ethyl]-1,2,3,4-tetrahydronaphthalen-2-amine
CID 61211277

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-methylimidazol-2-yl)ethyl]-1,4-dioxaspiro[4.5]decan-8-amine?
The IUPAC name of N-[2-(1-methylimidazol-2-yl)ethyl]-1,4-dioxaspiro[4.5]decan-8-amine (CID 61215283) is N-[2-(1-methylimidazol-2-yl)ethyl]-1,4-dioxaspiro[4.5]decan-8-amine.
What is the SMILES notation for N-[2-(1-methylimidazol-2-yl)ethyl]-1,4-dioxaspiro[4.5]decan-8-amine?
The canonical SMILES for N-[2-(1-methylimidazol-2-yl)ethyl]-1,4-dioxaspiro[4.5]decan-8-amine is Cn1ccnc1CCNC1CCC2(CC1)OCCO2.
What is the InChIKey of N-[2-(1-methylimidazol-2-yl)ethyl]-1,4-dioxaspiro[4.5]decan-8-amine?
The InChIKey is OAXSDEKWBAXWLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-17-9-8-16-13(17)4-7-15-12-2-5-14(6-3-12)18-10-11-19-14/h8-9,12,15H,2-7,10-11H2,1H3.
What are the key properties of N-[2-(1-methylimidazol-2-yl)ethyl]-1,4-dioxaspiro[4.5]decan-8-amine?
N-[2-(1-methylimidazol-2-yl)ethyl]-1,4-dioxaspiro[4.5]decan-8-amine has a molecular weight of 265.36 g/mol, XLogP of 1.24, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-methylimidazol-2-yl)ethyl]-1,4-dioxaspiro[4.5]decan-8-amine is sourced from PubChem (CID 61215283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).