N-[(3-cyclohexyl-3-bicyclo[3.1.0]hexanyl)methyl]-2-methoxyethanamine

C16H29NO — CID 82937332

IUPACN-[(3-cyclohexyl-3-bicyclo[3.1.0]hexanyl)methyl]-2-methoxyethanamine
SMILESCOCCNCC1(C2CCCCC2)CC2CC2C1
InChIInChI=1S/C16H29NO/c1-18-8-7-17-12-16(10-13-9-14(13)11-16)15-5-3-2-4-6-15/h13-15,17H,2-12H2,1H3
InChIKeyXXDJDBSEPQUSGW-UHFFFAOYSA-N
MW251.41 g/mol
LogP3.22
Rot. Bonds6

About N-[(3-cyclohexyl-3-bicyclo[3.1.0]hexanyl)methyl]-2-methoxyethanamine

N-[(3-cyclohexyl-3-bicyclo[3.1.0]hexanyl)methyl]-2-methoxyethanamine (PubChem CID 82937332) has the molecular formula C16H29NO and a molecular weight of 251.41 g/mol. Its IUPAC name is N-[(3-cyclohexyl-3-bicyclo[3.1.0]hexanyl)methyl]-2-methoxyethanamine.

Molecular Properties

Compound NameN-[(3-cyclohexyl-3-bicyclo[3.1.0]hexanyl)methyl]-2-methoxyethanamine
PubChem CID82937332
Molecular FormulaC16H29NO
Molecular Weight251.41 g/mol
Exact Mass251.22
IUPAC NameN-[(3-cyclohexyl-3-bicyclo[3.1.0]hexanyl)methyl]-2-methoxyethanamine
SMILESCOCCNCC1(C2CCCCC2)CC2CC2C1
InChIInChI=1S/C16H29NO/c1-18-8-7-17-12-16(10-13-9-14(13)11-16)15-5-3-2-4-6-15/h13-15,17H,2-12H2,1H3
InChIKeyXXDJDBSEPQUSGW-UHFFFAOYSA-N
XLogP3.22
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 ≤ 53.22
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-[(1-cyclopentylcyclohexyl)methyl]-2-methoxyethanamine
CID 82934395
N-[(1-cyclohexylcyclohexyl)methyl]-2-methoxyethanamine
CID 82932753
2-methoxy-N-[[3-(4-methoxybutyl)-3-bicyclo[3.1.0]hexanyl]methyl]ethanamine
CID 104649530
2-methoxy-N-[(2-methyl-2-bicyclo[2.2.1]heptanyl)methyl]ethanamine
CID 62726390
N-[(1-cycloheptylcyclohexyl)methyl]propan-1-amine
CID 82933014
2-methoxy-N-[[3-(phenylmethoxymethyl)-3-bicyclo[3.1.0]hexanyl]methyl]ethanamine
CID 102940611
N-(cyclopropylmethyl)-2-methoxyethanamine
CID 19353678
2-methoxy-N-[[1-(methoxymethyl)piperidin-2-yl]methyl]ethanamine
CID 65364306
N'-cycloheptyl-N-(2-methoxyethyl)ethane-1,2-diamine
CID 62573665
N-[[3-(2-tert-butylsulfonylethyl)-3-bicyclo[3.1.0]hexanyl]methyl]-2-methoxyethanamine
CID 106730283
N-(2-cyclopentyloxyethyl)-2-methoxyethanamine
CID 62564778
1-[(2-methoxyethylamino)methyl]cyclobutan-1-ol
CID 80500939

Frequently Asked Questions

What is the IUPAC name of N-[(3-cyclohexyl-3-bicyclo[3.1.0]hexanyl)methyl]-2-methoxyethanamine?
The IUPAC name of N-[(3-cyclohexyl-3-bicyclo[3.1.0]hexanyl)methyl]-2-methoxyethanamine (CID 82937332) is N-[(3-cyclohexyl-3-bicyclo[3.1.0]hexanyl)methyl]-2-methoxyethanamine.
What is the SMILES notation for N-[(3-cyclohexyl-3-bicyclo[3.1.0]hexanyl)methyl]-2-methoxyethanamine?
The canonical SMILES for N-[(3-cyclohexyl-3-bicyclo[3.1.0]hexanyl)methyl]-2-methoxyethanamine is COCCNCC1(C2CCCCC2)CC2CC2C1.
What is the InChIKey of N-[(3-cyclohexyl-3-bicyclo[3.1.0]hexanyl)methyl]-2-methoxyethanamine?
The InChIKey is XXDJDBSEPQUSGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO/c1-18-8-7-17-12-16(10-13-9-14(13)11-16)15-5-3-2-4-6-15/h13-15,17H,2-12H2,1H3.
What are the key properties of N-[(3-cyclohexyl-3-bicyclo[3.1.0]hexanyl)methyl]-2-methoxyethanamine?
N-[(3-cyclohexyl-3-bicyclo[3.1.0]hexanyl)methyl]-2-methoxyethanamine has a molecular weight of 251.41 g/mol, XLogP of 3.22, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-cyclohexyl-3-bicyclo[3.1.0]hexanyl)methyl]-2-methoxyethanamine is sourced from PubChem (CID 82937332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).