N-[(3,3-diethyl-1-phenylcyclobutyl)methyl]-2-methoxyethanamine

C18H29NO — CID 65003420

IUPACN-[(3,3-diethyl-1-phenylcyclobutyl)methyl]-2-methoxyethanamine
SMILESCCC1(CC)CC(CNCCOC)(c2ccccc2)C1
InChIInChI=1S/C18H29NO/c1-4-17(5-2)13-18(14-17,15-19-11-12-20-3)16-9-7-6-8-10-16/h6-10,19H,4-5,11-15H2,1-3H3
InChIKeyFSKUSAQEBCJOPU-UHFFFAOYSA-N
MW275.44 g/mol
LogP3.76
Rot. Bonds8

About N-[(3,3-diethyl-1-phenylcyclobutyl)methyl]-2-methoxyethanamine

N-[(3,3-diethyl-1-phenylcyclobutyl)methyl]-2-methoxyethanamine (PubChem CID 65003420) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is N-[(3,3-diethyl-1-phenylcyclobutyl)methyl]-2-methoxyethanamine.

Molecular Properties

Compound NameN-[(3,3-diethyl-1-phenylcyclobutyl)methyl]-2-methoxyethanamine
PubChem CID65003420
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC NameN-[(3,3-diethyl-1-phenylcyclobutyl)methyl]-2-methoxyethanamine
SMILESCCC1(CC)CC(CNCCOC)(c2ccccc2)C1
InChIInChI=1S/C18H29NO/c1-4-17(5-2)13-18(14-17,15-19-11-12-20-3)16-9-7-6-8-10-16/h6-10,19H,4-5,11-15H2,1-3H3
InChIKeyFSKUSAQEBCJOPU-UHFFFAOYSA-N
XLogP3.76
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 53.76
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-[(3,3-diethyl-1-phenylcyclobutyl)methyl]-2-methoxyethanamine?
The IUPAC name of N-[(3,3-diethyl-1-phenylcyclobutyl)methyl]-2-methoxyethanamine (CID 65003420) is N-[(3,3-diethyl-1-phenylcyclobutyl)methyl]-2-methoxyethanamine.
What is the SMILES notation for N-[(3,3-diethyl-1-phenylcyclobutyl)methyl]-2-methoxyethanamine?
The canonical SMILES for N-[(3,3-diethyl-1-phenylcyclobutyl)methyl]-2-methoxyethanamine is CCC1(CC)CC(CNCCOC)(c2ccccc2)C1.
What is the InChIKey of N-[(3,3-diethyl-1-phenylcyclobutyl)methyl]-2-methoxyethanamine?
The InChIKey is FSKUSAQEBCJOPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c1-4-17(5-2)13-18(14-17,15-19-11-12-20-3)16-9-7-6-8-10-16/h6-10,19H,4-5,11-15H2,1-3H3.
What are the key properties of N-[(3,3-diethyl-1-phenylcyclobutyl)methyl]-2-methoxyethanamine?
N-[(3,3-diethyl-1-phenylcyclobutyl)methyl]-2-methoxyethanamine has a molecular weight of 275.44 g/mol, XLogP of 3.76, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,3-diethyl-1-phenylcyclobutyl)methyl]-2-methoxyethanamine is sourced from PubChem (CID 65003420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).