N-[(1-cyclohexylcyclohexyl)methyl]-2-methoxyethanamine

C16H31NO — CID 82932753

IUPACN-[(1-cyclohexylcyclohexyl)methyl]-2-methoxyethanamine
SMILESCOCCNCC1(C2CCCCC2)CCCCC1
InChIInChI=1S/C16H31NO/c1-18-13-12-17-14-16(10-6-3-7-11-16)15-8-4-2-5-9-15/h15,17H,2-14H2,1H3
InChIKeyDIGUIIJHLZFMCQ-UHFFFAOYSA-N
MW253.43 g/mol
LogP3.75
Rot. Bonds6

About N-[(1-cyclohexylcyclohexyl)methyl]-2-methoxyethanamine

N-[(1-cyclohexylcyclohexyl)methyl]-2-methoxyethanamine (PubChem CID 82932753) has the molecular formula C16H31NO and a molecular weight of 253.43 g/mol. Its IUPAC name is N-[(1-cyclohexylcyclohexyl)methyl]-2-methoxyethanamine.

Molecular Properties

Compound NameN-[(1-cyclohexylcyclohexyl)methyl]-2-methoxyethanamine
PubChem CID82932753
Molecular FormulaC16H31NO
Molecular Weight253.43 g/mol
Exact Mass253.24
IUPAC NameN-[(1-cyclohexylcyclohexyl)methyl]-2-methoxyethanamine
SMILESCOCCNCC1(C2CCCCC2)CCCCC1
InChIInChI=1S/C16H31NO/c1-18-13-12-17-14-16(10-6-3-7-11-16)15-8-4-2-5-9-15/h15,17H,2-14H2,1H3
InChIKeyDIGUIIJHLZFMCQ-UHFFFAOYSA-N
XLogP3.75
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.43
LogP ≤ 53.75
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-[(3-cyclohexyl-3-bicyclo[3.1.0]hexanyl)methyl]-2-methoxyethanamine
CID 82937332
N-[(1-cycloheptylcyclohexyl)methyl]propan-1-amine
CID 82933014
N-[(1-cyclopentylcyclohexyl)methyl]ethanamine
CID 82932904
1-cyclohexyl-1-(3-methoxypropyl)cyclohexane
CID 142637156
2-methoxy-N-[[1-(2-methoxyethyl)cyclohexyl]methyl]ethanamine
CID 62723578
N-[(1-cyclohexylcyclohexyl)methyl]propan-2-amine
CID 82933466
1-[(2-methoxyethylamino)methyl]cyclopentan-1-ol
CID 62773566
2-methoxy-N-[[1-(oxolan-2-ylmethyl)cyclohexyl]methyl]ethanamine
CID 55106983
N-[[1-(2-ethoxyethyl)cyclohexyl]methyl]-2-methoxyethanamine
CID 62723982
N-[(4-cycloheptyloxan-4-yl)methyl]propan-1-amine
CID 82933709
2-methoxy-N-[[1-[(5-methyloxolan-2-yl)methyl]cyclohexyl]methyl]ethanamine
CID 103138492

Frequently Asked Questions

What is the IUPAC name of N-[(1-cyclohexylcyclohexyl)methyl]-2-methoxyethanamine?
The IUPAC name of N-[(1-cyclohexylcyclohexyl)methyl]-2-methoxyethanamine (CID 82932753) is N-[(1-cyclohexylcyclohexyl)methyl]-2-methoxyethanamine.
What is the SMILES notation for N-[(1-cyclohexylcyclohexyl)methyl]-2-methoxyethanamine?
The canonical SMILES for N-[(1-cyclohexylcyclohexyl)methyl]-2-methoxyethanamine is COCCNCC1(C2CCCCC2)CCCCC1.
What is the InChIKey of N-[(1-cyclohexylcyclohexyl)methyl]-2-methoxyethanamine?
The InChIKey is DIGUIIJHLZFMCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO/c1-18-13-12-17-14-16(10-6-3-7-11-16)15-8-4-2-5-9-15/h15,17H,2-14H2,1H3.
What are the key properties of N-[(1-cyclohexylcyclohexyl)methyl]-2-methoxyethanamine?
N-[(1-cyclohexylcyclohexyl)methyl]-2-methoxyethanamine has a molecular weight of 253.43 g/mol, XLogP of 3.75, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-cyclohexylcyclohexyl)methyl]-2-methoxyethanamine is sourced from PubChem (CID 82932753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).