N-[2-(2-methylprop-2-enoxy)ethyl]spiro[4.5]decan-8-amine

C16H29NO — CID 114817951

IUPACN-[2-(2-methylprop-2-enoxy)ethyl]spiro[4.5]decan-8-amine
SMILESC=C(C)COCCNC1CCC2(CCCC2)CC1
InChIInChI=1S/C16H29NO/c1-14(2)13-18-12-11-17-15-5-9-16(10-6-15)7-3-4-8-16/h15,17H,1,3-13H2,2H3
InChIKeyOUDIATMFOJTDAN-UHFFFAOYSA-N
MW251.41 g/mol
LogP3.67
Rot. Bonds6

About N-[2-(2-methylprop-2-enoxy)ethyl]spiro[4.5]decan-8-amine

N-[2-(2-methylprop-2-enoxy)ethyl]spiro[4.5]decan-8-amine (PubChem CID 114817951) has the molecular formula C16H29NO and a molecular weight of 251.41 g/mol. Its IUPAC name is N-[2-(2-methylprop-2-enoxy)ethyl]spiro[4.5]decan-8-amine.

Molecular Properties

Compound NameN-[2-(2-methylprop-2-enoxy)ethyl]spiro[4.5]decan-8-amine
PubChem CID114817951
Molecular FormulaC16H29NO
Molecular Weight251.41 g/mol
Exact Mass251.22
IUPAC NameN-[2-(2-methylprop-2-enoxy)ethyl]spiro[4.5]decan-8-amine
SMILESC=C(C)COCCNC1CCC2(CCCC2)CC1
InChIInChI=1S/C16H29NO/c1-14(2)13-18-12-11-17-15-5-9-16(10-6-15)7-3-4-8-16/h15,17H,1,3-13H2,2H3
InChIKeyOUDIATMFOJTDAN-UHFFFAOYSA-N
XLogP3.67
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.41
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4,4-dimethyl-N-[2-(2-methylprop-2-enoxy)ethyl]cycloheptan-1-amine
CID 114465917
2-[2-(spiro[4.5]decan-8-ylamino)ethoxy]ethanol
CID 114817197
N-(2-but-3-enoxyethyl)spiro[4.5]decan-8-amine
CID 106396988
N-(2-cyclopentyloxyethyl)spiro[4.5]decan-8-amine
CID 114817665
N-[2-(2-methylprop-2-enoxy)ethyl]oxetan-3-amine
CID 114465933
N-(3-butoxypropyl)spiro[4.5]decan-8-amine
CID 114817917
3-ethyl-N-[2-(2-methylprop-2-enoxy)ethyl]cyclohexan-1-amine
CID 115699234
N-[2-(2-methylprop-2-enoxy)ethyl]-1,1-dioxothietan-3-amine
CID 135392293
N-[2-(2-methylprop-2-enoxy)ethyl]spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-amine
CID 75516213
N-(3-methylsulfinylpropyl)spiro[4.5]decan-8-amine
CID 114817921
trans-(1R,2R)-2-[2-(2-methylprop-2-enoxy)ethylamino]cyclopentan-1-ol
CID 102734200
3-(spiro[4.5]decan-8-ylamino)propan-1-ol
CID 114817188

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methylprop-2-enoxy)ethyl]spiro[4.5]decan-8-amine?
The IUPAC name of N-[2-(2-methylprop-2-enoxy)ethyl]spiro[4.5]decan-8-amine (CID 114817951) is N-[2-(2-methylprop-2-enoxy)ethyl]spiro[4.5]decan-8-amine.
What is the SMILES notation for N-[2-(2-methylprop-2-enoxy)ethyl]spiro[4.5]decan-8-amine?
The canonical SMILES for N-[2-(2-methylprop-2-enoxy)ethyl]spiro[4.5]decan-8-amine is C=C(C)COCCNC1CCC2(CCCC2)CC1.
What is the InChIKey of N-[2-(2-methylprop-2-enoxy)ethyl]spiro[4.5]decan-8-amine?
The InChIKey is OUDIATMFOJTDAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO/c1-14(2)13-18-12-11-17-15-5-9-16(10-6-15)7-3-4-8-16/h15,17H,1,3-13H2,2H3.
What are the key properties of N-[2-(2-methylprop-2-enoxy)ethyl]spiro[4.5]decan-8-amine?
N-[2-(2-methylprop-2-enoxy)ethyl]spiro[4.5]decan-8-amine has a molecular weight of 251.41 g/mol, XLogP of 3.67, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methylprop-2-enoxy)ethyl]spiro[4.5]decan-8-amine is sourced from PubChem (CID 114817951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).