N-[2-(cyclohexen-1-yl)ethyl]-2,2-dimethyl-3-(2-methylpropoxy)cyclobutan-1-amine

C18H33NO — CID 64850380

IUPACN-[2-(cyclohexen-1-yl)ethyl]-2,2-dimethyl-3-(2-methylpropoxy)cyclobutan-1-amine
SMILESCC(C)COC1CC(NCCC2=CCCCC2)C1(C)C
InChIInChI=1S/C18H33NO/c1-14(2)13-20-17-12-16(18(17,3)4)19-11-10-15-8-6-5-7-9-15/h8,14,16-17,19H,5-7,9-13H2,1-4H3
InChIKeyPLJFQNUTUDCSRN-UHFFFAOYSA-N
MW279.47 g/mol
LogP4.31
Rot. Bonds7

About N-[2-(cyclohexen-1-yl)ethyl]-2,2-dimethyl-3-(2-methylpropoxy)cyclobutan-1-amine

N-[2-(cyclohexen-1-yl)ethyl]-2,2-dimethyl-3-(2-methylpropoxy)cyclobutan-1-amine (PubChem CID 64850380) has the molecular formula C18H33NO and a molecular weight of 279.47 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-2,2-dimethyl-3-(2-methylpropoxy)cyclobutan-1-amine.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-2,2-dimethyl-3-(2-methylpropoxy)cyclobutan-1-amine
PubChem CID64850380
Molecular FormulaC18H33NO
Molecular Weight279.47 g/mol
Exact Mass279.26
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-2,2-dimethyl-3-(2-methylpropoxy)cyclobutan-1-amine
SMILESCC(C)COC1CC(NCCC2=CCCCC2)C1(C)C
InChIInChI=1S/C18H33NO/c1-14(2)13-20-17-12-16(18(17,3)4)19-11-10-15-8-6-5-7-9-15/h8,14,16-17,19H,5-7,9-13H2,1-4H3
InChIKeyPLJFQNUTUDCSRN-UHFFFAOYSA-N
XLogP4.31
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.47
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze N-[2-(cyclohexen-1-yl)ethyl]-2,2-dimethyl-3-(2-methylpropoxy)cyclobutan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-2,2-dimethyl-3-(2-methylpropoxy)cyclobutan-1-amine?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-2,2-dimethyl-3-(2-methylpropoxy)cyclobutan-1-amine (CID 64850380) is N-[2-(cyclohexen-1-yl)ethyl]-2,2-dimethyl-3-(2-methylpropoxy)cyclobutan-1-amine.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-2,2-dimethyl-3-(2-methylpropoxy)cyclobutan-1-amine?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-2,2-dimethyl-3-(2-methylpropoxy)cyclobutan-1-amine is CC(C)COC1CC(NCCC2=CCCCC2)C1(C)C.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-2,2-dimethyl-3-(2-methylpropoxy)cyclobutan-1-amine?
The InChIKey is PLJFQNUTUDCSRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33NO/c1-14(2)13-20-17-12-16(18(17,3)4)19-11-10-15-8-6-5-7-9-15/h8,14,16-17,19H,5-7,9-13H2,1-4H3.
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-2,2-dimethyl-3-(2-methylpropoxy)cyclobutan-1-amine?
N-[2-(cyclohexen-1-yl)ethyl]-2,2-dimethyl-3-(2-methylpropoxy)cyclobutan-1-amine has a molecular weight of 279.47 g/mol, XLogP of 4.31, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)ethyl]-2,2-dimethyl-3-(2-methylpropoxy)cyclobutan-1-amine is sourced from PubChem (CID 64850380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).