3-ethyl-3-methylspiro[aziridine-2,8'-tricyclo[5.2.1.02,6]decane]

C14H23N — CID 163947971

IUPAC3-ethyl-3-methylspiro[aziridine-2,8'-tricyclo[5.2.1.02,6]decane]
SMILESCCC1(C)NC12CC1CC2C2CCCC12
InChIInChI=1S/C14H23N/c1-3-13(2)14(15-13)8-9-7-12(14)11-6-4-5-10(9)11/h9-12,15H,3-8H2,1-2H3
InChIKeyRWVAUYUNWZCNEW-UHFFFAOYSA-N
MW205.34 g/mol
LogP2.95
Rot. Bonds1

About 3-ethyl-3-methylspiro[aziridine-2,8'-tricyclo[5.2.1.02,6]decane]

3-ethyl-3-methylspiro[aziridine-2,8'-tricyclo[5.2.1.02,6]decane] (PubChem CID 163947971) has the molecular formula C14H23N and a molecular weight of 205.34 g/mol. Its IUPAC name is 3-ethyl-3-methylspiro[aziridine-2,8'-tricyclo[5.2.1.02,6]decane].

Molecular Properties

Compound Name3-ethyl-3-methylspiro[aziridine-2,8'-tricyclo[5.2.1.02,6]decane]
PubChem CID163947971
Molecular FormulaC14H23N
Molecular Weight205.34 g/mol
Exact Mass205.18
IUPAC Name3-ethyl-3-methylspiro[aziridine-2,8'-tricyclo[5.2.1.02,6]decane]
SMILESCCC1(C)NC12CC1CC2C2CCCC12
InChIInChI=1S/C14H23N/c1-3-13(2)14(15-13)8-9-7-12(14)11-6-4-5-10(9)11/h9-12,15H,3-8H2,1-2H3
InChIKeyRWVAUYUNWZCNEW-UHFFFAOYSA-N
XLogP2.95
TPSA21.94 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.34
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

8-ethyltricyclo[5.2.1.02,6]decan-8-ol
CID 13386822
8-ethyltricyclo[5.2.1.02,6]decane-8-carbaldehyde
CID 54499262
(1R,2S,6R,7S,8S)-8-methyltricyclo[5.2.1.02,6]decan-8-ol
CID 124836591
9,9-dimethyltricyclo[6.2.1.02,7]undecane;ethane
CID 91591704
8-propyltricyclo[5.2.1.02,6]decan-8-ol
CID 13386823
8-(2-ethylcyclohexyl)tricyclo[5.2.1.02,6]decan-8-amine
CID 55251575
8-(1-methoxy-2-methylpropan-2-yl)-8-methyltricyclo[5.2.1.02,6]decane
CID 174350007
1-(8-ethyl-8-tricyclo[5.2.1.02,6]decanyl)-3-methylbut-3-en-2-one
CID 21045004
7,7-dimethyl-1,2,3,3a,3b,4,5,6,6a,7a-decahydrocyclopenta[a]pentalene
CID 85195042
(1'R,2'S,6'S)-spiro[1,3-dioxolane-2,8'-tricyclo[5.2.1.02,6]decane]
CID 21116154
8-(1-amino-2-methylpropan-2-yl)tricyclo[5.2.1.02,6]decan-8-ol
CID 79128848
(4-ethyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl) 2,2-dimethylbutanoate;(8-ethyl-8-tricyclo[5.2.1.02,6]decanyl) 2,2-dimethylbutanoate;(4-methyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl) 2,2-dimethylbutanoate;(8-methyl-8-tricyclo[5.2.1.02,6]decanyl) 2,2-dimethylbutanoate
CID 90805182

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-3-methylspiro[aziridine-2,8'-tricyclo[5.2.1.02,6]decane]?
The IUPAC name of 3-ethyl-3-methylspiro[aziridine-2,8'-tricyclo[5.2.1.02,6]decane] (CID 163947971) is 3-ethyl-3-methylspiro[aziridine-2,8'-tricyclo[5.2.1.02,6]decane].
What is the SMILES notation for 3-ethyl-3-methylspiro[aziridine-2,8'-tricyclo[5.2.1.02,6]decane]?
The canonical SMILES for 3-ethyl-3-methylspiro[aziridine-2,8'-tricyclo[5.2.1.02,6]decane] is CCC1(C)NC12CC1CC2C2CCCC12.
What is the InChIKey of 3-ethyl-3-methylspiro[aziridine-2,8'-tricyclo[5.2.1.02,6]decane]?
The InChIKey is RWVAUYUNWZCNEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N/c1-3-13(2)14(15-13)8-9-7-12(14)11-6-4-5-10(9)11/h9-12,15H,3-8H2,1-2H3.
What are the key properties of 3-ethyl-3-methylspiro[aziridine-2,8'-tricyclo[5.2.1.02,6]decane]?
3-ethyl-3-methylspiro[aziridine-2,8'-tricyclo[5.2.1.02,6]decane] has a molecular weight of 205.34 g/mol, XLogP of 2.95, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-3-methylspiro[aziridine-2,8'-tricyclo[5.2.1.02,6]decane] is sourced from PubChem (CID 163947971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).