N-[(2,2-dimethylcyclopentyl)methyl]-2-methoxyethanamine

C11H23NO — CID 79862677

IUPACN-[(2,2-dimethylcyclopentyl)methyl]-2-methoxyethanamine
SMILESCOCCNCC1CCCC1(C)C
InChIInChI=1S/C11H23NO/c1-11(2)6-4-5-10(11)9-12-7-8-13-3/h10,12H,4-9H2,1-3H3
InChIKeyOHLPNRMXCVLLFM-UHFFFAOYSA-N
MW185.31 g/mol
LogP2.05
Rot. Bonds5

About N-[(2,2-dimethylcyclopentyl)methyl]-2-methoxyethanamine

N-[(2,2-dimethylcyclopentyl)methyl]-2-methoxyethanamine (PubChem CID 79862677) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is N-[(2,2-dimethylcyclopentyl)methyl]-2-methoxyethanamine.

Molecular Properties

Compound NameN-[(2,2-dimethylcyclopentyl)methyl]-2-methoxyethanamine
PubChem CID79862677
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC NameN-[(2,2-dimethylcyclopentyl)methyl]-2-methoxyethanamine
SMILESCOCCNCC1CCCC1(C)C
InChIInChI=1S/C11H23NO/c1-11(2)6-4-5-10(11)9-12-7-8-13-3/h10,12H,4-9H2,1-3H3
InChIKeyOHLPNRMXCVLLFM-UHFFFAOYSA-N
XLogP2.05
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 52.05
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

2-N-[(2,2-dimethylcyclopentyl)methyl]-1-N-(2-methoxyethyl)propane-1,2-diamine
CID 107178423
N'-[(2,2-dimethylcyclopentyl)methyl]ethane-1,2-diamine
CID 107178361
N-[(7-tert-butylspiro[2.6]nonan-2-yl)methyl]-2-methoxyethanamine
CID 65094892
N'-[(2,2-dimethylcyclopentyl)methyl]-N-propylpropane-1,3-diamine
CID 107178474
N'-[(2,2-dimethylcyclohexyl)methyl]-N-propylethane-1,2-diamine
CID 107178371
N-(cyclopropylmethyl)-2-methoxyethanamine
CID 19353678
N-[(2,2-dimethylcyclohexyl)methyl]-2-pyrrolidin-1-ylethanamine
CID 107178393
2-methoxy-N-(spiro[3.3]heptan-2-ylmethyl)ethanamine
CID 65009357
2-methoxy-N-[(2,2,7,7-tetramethylspiro[2.4]heptan-1-yl)methyl]ethanamine
CID 114229896
N-[(2,2-dimethylcyclopentyl)methyl]cycloheptanamine
CID 107178325
2-methoxy-N-(1-oxaspiro[4.5]decan-2-ylmethyl)ethanamine
CID 102896547
1-(2,2-dimethylcycloheptyl)-N-methylmethanamine
CID 83905807

Frequently Asked Questions

What is the IUPAC name of N-[(2,2-dimethylcyclopentyl)methyl]-2-methoxyethanamine?
The IUPAC name of N-[(2,2-dimethylcyclopentyl)methyl]-2-methoxyethanamine (CID 79862677) is N-[(2,2-dimethylcyclopentyl)methyl]-2-methoxyethanamine.
What is the SMILES notation for N-[(2,2-dimethylcyclopentyl)methyl]-2-methoxyethanamine?
The canonical SMILES for N-[(2,2-dimethylcyclopentyl)methyl]-2-methoxyethanamine is COCCNCC1CCCC1(C)C.
What is the InChIKey of N-[(2,2-dimethylcyclopentyl)methyl]-2-methoxyethanamine?
The InChIKey is OHLPNRMXCVLLFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO/c1-11(2)6-4-5-10(11)9-12-7-8-13-3/h10,12H,4-9H2,1-3H3.
What are the key properties of N-[(2,2-dimethylcyclopentyl)methyl]-2-methoxyethanamine?
N-[(2,2-dimethylcyclopentyl)methyl]-2-methoxyethanamine has a molecular weight of 185.31 g/mol, XLogP of 2.05, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,2-dimethylcyclopentyl)methyl]-2-methoxyethanamine is sourced from PubChem (CID 79862677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).