N-[[1-(2-ethylhexyl)cyclopentyl]methyl]-2-methoxyethanamine

C17H35NO — CID 55196049

IUPACN-[[1-(2-ethylhexyl)cyclopentyl]methyl]-2-methoxyethanamine
SMILESCCCCC(CC)CC1(CNCCOC)CCCC1
InChIInChI=1S/C17H35NO/c1-4-6-9-16(5-2)14-17(10-7-8-11-17)15-18-12-13-19-3/h16,18H,4-15H2,1-3H3
InChIKeyJZWQFEXKPFSCGZ-UHFFFAOYSA-N
MW269.47 g/mol
LogP4.39
Rot. Bonds11

About N-[[1-(2-ethylhexyl)cyclopentyl]methyl]-2-methoxyethanamine

N-[[1-(2-ethylhexyl)cyclopentyl]methyl]-2-methoxyethanamine (PubChem CID 55196049) has the molecular formula C17H35NO and a molecular weight of 269.47 g/mol. Its IUPAC name is N-[[1-(2-ethylhexyl)cyclopentyl]methyl]-2-methoxyethanamine.

Molecular Properties

Compound NameN-[[1-(2-ethylhexyl)cyclopentyl]methyl]-2-methoxyethanamine
PubChem CID55196049
Molecular FormulaC17H35NO
Molecular Weight269.47 g/mol
Exact Mass269.27
IUPAC NameN-[[1-(2-ethylhexyl)cyclopentyl]methyl]-2-methoxyethanamine
SMILESCCCCC(CC)CC1(CNCCOC)CCCC1
InChIInChI=1S/C17H35NO/c1-4-6-9-16(5-2)14-17(10-7-8-11-17)15-18-12-13-19-3/h16,18H,4-15H2,1-3H3
InChIKeyJZWQFEXKPFSCGZ-UHFFFAOYSA-N
XLogP4.39
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.47
LogP ≤ 54.39
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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Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-ethylhexyl)cyclopentyl]methyl]-2-methoxyethanamine?
The IUPAC name of N-[[1-(2-ethylhexyl)cyclopentyl]methyl]-2-methoxyethanamine (CID 55196049) is N-[[1-(2-ethylhexyl)cyclopentyl]methyl]-2-methoxyethanamine.
What is the SMILES notation for N-[[1-(2-ethylhexyl)cyclopentyl]methyl]-2-methoxyethanamine?
The canonical SMILES for N-[[1-(2-ethylhexyl)cyclopentyl]methyl]-2-methoxyethanamine is CCCCC(CC)CC1(CNCCOC)CCCC1.
What is the InChIKey of N-[[1-(2-ethylhexyl)cyclopentyl]methyl]-2-methoxyethanamine?
The InChIKey is JZWQFEXKPFSCGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35NO/c1-4-6-9-16(5-2)14-17(10-7-8-11-17)15-18-12-13-19-3/h16,18H,4-15H2,1-3H3.
What are the key properties of N-[[1-(2-ethylhexyl)cyclopentyl]methyl]-2-methoxyethanamine?
N-[[1-(2-ethylhexyl)cyclopentyl]methyl]-2-methoxyethanamine has a molecular weight of 269.47 g/mol, XLogP of 4.39, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-ethylhexyl)cyclopentyl]methyl]-2-methoxyethanamine is sourced from PubChem (CID 55196049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).