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

C15H29NO — CID 102952442

IUPACN-[2-(2-methylpropoxy)ethyl]spiro[3.5]nonan-3-amine
SMILESCC(C)COCCNC1CCC12CCCCC2
InChIInChI=1S/C15H29NO/c1-13(2)12-17-11-10-16-14-6-9-15(14)7-4-3-5-8-15/h13-14,16H,3-12H2,1-2H3
InChIKeyQDNDWLCDIQMJDM-UHFFFAOYSA-N
MW239.40 g/mol
LogP3.36
Rot. Bonds6

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

N-[2-(2-methylpropoxy)ethyl]spiro[3.5]nonan-3-amine (PubChem CID 102952442) has the molecular formula C15H29NO and a molecular weight of 239.40 g/mol. Its IUPAC name is N-[2-(2-methylpropoxy)ethyl]spiro[3.5]nonan-3-amine.

Molecular Properties

Compound NameN-[2-(2-methylpropoxy)ethyl]spiro[3.5]nonan-3-amine
PubChem CID102952442
Molecular FormulaC15H29NO
Molecular Weight239.40 g/mol
Exact Mass239.22
IUPAC NameN-[2-(2-methylpropoxy)ethyl]spiro[3.5]nonan-3-amine
SMILESCC(C)COCCNC1CCC12CCCCC2
InChIInChI=1S/C15H29NO/c1-13(2)12-17-11-10-16-14-6-9-15(14)7-4-3-5-8-15/h13-14,16H,3-12H2,1-2H3
InChIKeyQDNDWLCDIQMJDM-UHFFFAOYSA-N
XLogP3.36
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.40
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methoxyethyl)-3,3-dimethylcyclohexan-1-amine
CID 64468633
N-(oxetan-3-ylmethyl)spiro[3.5]nonan-2-amine
CID 137956347
3,3,5-trimethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-amine
CID 60732879
4-tert-butyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-amine
CID 60733032
2-tert-butyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-amine
CID 63776665
4-(2-methylbutan-2-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-amine
CID 63826940
4,4-dimethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-amine
CID 64416607
3,3-dimethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-amine
CID 64468718
Cyclobutanemethanamine, 1-decyl-N-(2-methoxyethyl)-
CID 65196627
2,2-dimethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-amine
CID 79835912
N-[2-(2,2,2-trifluoroethoxy)ethyl]spiro[3.5]nonan-3-amine
CID 102951933
2-tert-butyl-N-[2-(2,2-difluoroethoxy)ethyl]cyclohexan-1-amine
CID 102977828

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methylpropoxy)ethyl]spiro[3.5]nonan-3-amine?
The IUPAC name of N-[2-(2-methylpropoxy)ethyl]spiro[3.5]nonan-3-amine (CID 102952442) is N-[2-(2-methylpropoxy)ethyl]spiro[3.5]nonan-3-amine.
What is the SMILES notation for N-[2-(2-methylpropoxy)ethyl]spiro[3.5]nonan-3-amine?
The canonical SMILES for N-[2-(2-methylpropoxy)ethyl]spiro[3.5]nonan-3-amine is CC(C)COCCNC1CCC12CCCCC2.
What is the InChIKey of N-[2-(2-methylpropoxy)ethyl]spiro[3.5]nonan-3-amine?
The InChIKey is QDNDWLCDIQMJDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO/c1-13(2)12-17-11-10-16-14-6-9-15(14)7-4-3-5-8-15/h13-14,16H,3-12H2,1-2H3.
What are the key properties of N-[2-(2-methylpropoxy)ethyl]spiro[3.5]nonan-3-amine?
N-[2-(2-methylpropoxy)ethyl]spiro[3.5]nonan-3-amine has a molecular weight of 239.40 g/mol, XLogP of 3.36, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methylpropoxy)ethyl]spiro[3.5]nonan-3-amine is sourced from PubChem (CID 102952442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).