N-[2-(2-methylprop-2-enoxy)ethyl]spiro[3.5]nonan-3-amine

C15H27NO — CID 102952452

IUPACN-[2-(2-methylprop-2-enoxy)ethyl]spiro[3.5]nonan-3-amine
SMILESC=C(C)COCCNC1CCC12CCCCC2
InChIInChI=1S/C15H27NO/c1-13(2)12-17-11-10-16-14-6-9-15(14)7-4-3-5-8-15/h14,16H,1,3-12H2,2H3
InChIKeyVKLWGDGYBSIGPH-UHFFFAOYSA-N
MW237.39 g/mol
LogP3.28
Rot. Bonds6

About N-[2-(2-methylprop-2-enoxy)ethyl]spiro[3.5]nonan-3-amine

N-[2-(2-methylprop-2-enoxy)ethyl]spiro[3.5]nonan-3-amine (PubChem CID 102952452) has the molecular formula C15H27NO and a molecular weight of 237.39 g/mol. Its IUPAC name is N-[2-(2-methylprop-2-enoxy)ethyl]spiro[3.5]nonan-3-amine.

Molecular Properties

Compound NameN-[2-(2-methylprop-2-enoxy)ethyl]spiro[3.5]nonan-3-amine
PubChem CID102952452
Molecular FormulaC15H27NO
Molecular Weight237.39 g/mol
Exact Mass237.21
IUPAC NameN-[2-(2-methylprop-2-enoxy)ethyl]spiro[3.5]nonan-3-amine
SMILESC=C(C)COCCNC1CCC12CCCCC2
InChIInChI=1S/C15H27NO/c1-13(2)12-17-11-10-16-14-6-9-15(14)7-4-3-5-8-15/h14,16H,1,3-12H2,2H3
InChIKeyVKLWGDGYBSIGPH-UHFFFAOYSA-N
XLogP3.28
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 53.28
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

N-(2-methoxyethyl)spiro[3.5]nonan-2-amine
CID 80362447
N-(2-methoxyethyl)spiro[3.5]nonan-3-amine
CID 102951132
N-(1-methoxypropan-2-yl)spiro[3.5]nonan-3-amine
CID 102951184
N-(2-ethoxyethyl)spiro[3.5]nonan-3-amine
CID 102951478
N-(1-ethoxypropan-2-yl)spiro[3.5]nonan-3-amine
CID 102951750
N-[2-(2-methylpropoxy)ethyl]spiro[3.5]nonan-3-amine
CID 102952442
N-[2-(2-methylprop-2-enoxy)ethyl]-3-propan-2-ylcyclobutan-1-amine
CID 103562425
2,3-dimethyl-N-[2-(2-methylprop-2-enoxy)ethyl]cyclohexan-1-amine
CID 104042148
2,4-dimethyl-N-[2-(2-methylprop-2-enoxy)ethyl]cyclohexan-1-amine
CID 104531400
N-(2-but-3-enoxyethyl)spiro[3.5]nonan-3-amine
CID 106401447
N-[2-(2-methylprop-2-enoxy)ethyl]-3-(2-methylpropyl)cyclohexan-1-amine
CID 107428822
N-[2-(2-methylprop-2-enoxy)ethyl]-3-propan-2-ylcyclohexan-1-amine
CID 107448827

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methylprop-2-enoxy)ethyl]spiro[3.5]nonan-3-amine?
The IUPAC name of N-[2-(2-methylprop-2-enoxy)ethyl]spiro[3.5]nonan-3-amine (CID 102952452) is N-[2-(2-methylprop-2-enoxy)ethyl]spiro[3.5]nonan-3-amine.
What is the SMILES notation for N-[2-(2-methylprop-2-enoxy)ethyl]spiro[3.5]nonan-3-amine?
The canonical SMILES for N-[2-(2-methylprop-2-enoxy)ethyl]spiro[3.5]nonan-3-amine is C=C(C)COCCNC1CCC12CCCCC2.
What is the InChIKey of N-[2-(2-methylprop-2-enoxy)ethyl]spiro[3.5]nonan-3-amine?
The InChIKey is VKLWGDGYBSIGPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO/c1-13(2)12-17-11-10-16-14-6-9-15(14)7-4-3-5-8-15/h14,16H,1,3-12H2,2H3.
What are the key properties of N-[2-(2-methylprop-2-enoxy)ethyl]spiro[3.5]nonan-3-amine?
N-[2-(2-methylprop-2-enoxy)ethyl]spiro[3.5]nonan-3-amine has a molecular weight of 237.39 g/mol, XLogP of 3.28, 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[3.5]nonan-3-amine is sourced from PubChem (CID 102952452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).