N-[(7-tert-butylspiro[2.6]nonan-2-yl)methyl]-2-methoxyethanamine

C17H33NO — CID 65094892

IUPACN-[(7-tert-butylspiro[2.6]nonan-2-yl)methyl]-2-methoxyethanamine
SMILESCOCCNCC1CC12CCCC(C(C)(C)C)CC2
InChIInChI=1S/C17H33NO/c1-16(2,3)14-6-5-8-17(9-7-14)12-15(17)13-18-10-11-19-4/h14-15,18H,5-13H2,1-4H3
InChIKeyBWKNTADDADICJZ-UHFFFAOYSA-N
MW267.46 g/mol
LogP3.86
Rot. Bonds5

About N-[(7-tert-butylspiro[2.6]nonan-2-yl)methyl]-2-methoxyethanamine

N-[(7-tert-butylspiro[2.6]nonan-2-yl)methyl]-2-methoxyethanamine (PubChem CID 65094892) has the molecular formula C17H33NO and a molecular weight of 267.46 g/mol. Its IUPAC name is N-[(7-tert-butylspiro[2.6]nonan-2-yl)methyl]-2-methoxyethanamine.

Molecular Properties

Compound NameN-[(7-tert-butylspiro[2.6]nonan-2-yl)methyl]-2-methoxyethanamine
PubChem CID65094892
Molecular FormulaC17H33NO
Molecular Weight267.46 g/mol
Exact Mass267.26
IUPAC NameN-[(7-tert-butylspiro[2.6]nonan-2-yl)methyl]-2-methoxyethanamine
SMILESCOCCNCC1CC12CCCC(C(C)(C)C)CC2
InChIInChI=1S/C17H33NO/c1-16(2,3)14-6-5-8-17(9-7-14)12-15(17)13-18-10-11-19-4/h14-15,18H,5-13H2,1-4H3
InChIKeyBWKNTADDADICJZ-UHFFFAOYSA-N
XLogP3.86
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.46
LogP ≤ 53.86
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-[(7-tert-butylspiro[2.6]nonan-2-yl)methyl]-2-methylpropan-2-amine
CID 65094890
N-[(2,2-dimethylcyclopentyl)methyl]-2-methoxyethanamine
CID 79862677
N-[[4-tert-butyl-1-(methoxymethyl)cyclohexyl]methyl]-2-methoxyethanamine
CID 103984545
N-[(7-ethylspiro[2.6]nonan-2-yl)methyl]propan-1-amine
CID 65087341
N-[(1-butyl-4-tert-butylcyclohexyl)methyl]-2-methoxyethanamine
CID 63509628
2-methoxy-N-(spiro[3.3]heptan-2-ylmethyl)ethanamine
CID 65009357
N-(cyclopropylmethyl)-2-methoxyethanamine
CID 19353678
2-N-[(2,2-dimethylcyclopentyl)methyl]-1-N-(2-methoxyethyl)propane-1,2-diamine
CID 107178423
2-methoxy-N-[(6-methoxyspiro[2,4-dihydro-1H-naphthalene-3,2'-cyclopropane]-1'-yl)methyl]ethanamine
CID 115511120
N-(spiro[2.11]tetradecan-2-ylmethyl)ethanamine
CID 63513335
N-[[4-tert-butyl-1-(3-methoxypropyl)cyclohexyl]methyl]propan-1-amine
CID 63507372
1-[(2-methoxyethylamino)methyl]-4-methylcycloheptan-1-ol
CID 65082682

Frequently Asked Questions

What is the IUPAC name of N-[(7-tert-butylspiro[2.6]nonan-2-yl)methyl]-2-methoxyethanamine?
The IUPAC name of N-[(7-tert-butylspiro[2.6]nonan-2-yl)methyl]-2-methoxyethanamine (CID 65094892) is N-[(7-tert-butylspiro[2.6]nonan-2-yl)methyl]-2-methoxyethanamine.
What is the SMILES notation for N-[(7-tert-butylspiro[2.6]nonan-2-yl)methyl]-2-methoxyethanamine?
The canonical SMILES for N-[(7-tert-butylspiro[2.6]nonan-2-yl)methyl]-2-methoxyethanamine is COCCNCC1CC12CCCC(C(C)(C)C)CC2.
What is the InChIKey of N-[(7-tert-butylspiro[2.6]nonan-2-yl)methyl]-2-methoxyethanamine?
The InChIKey is BWKNTADDADICJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33NO/c1-16(2,3)14-6-5-8-17(9-7-14)12-15(17)13-18-10-11-19-4/h14-15,18H,5-13H2,1-4H3.
What are the key properties of N-[(7-tert-butylspiro[2.6]nonan-2-yl)methyl]-2-methoxyethanamine?
N-[(7-tert-butylspiro[2.6]nonan-2-yl)methyl]-2-methoxyethanamine has a molecular weight of 267.46 g/mol, XLogP of 3.86, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(7-tert-butylspiro[2.6]nonan-2-yl)methyl]-2-methoxyethanamine is sourced from PubChem (CID 65094892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).