N-(cyclohex-3-en-1-ylmethyl)-2,2-dimethyl-3-(2-methylpropoxy)cyclobutan-1-amine

C17H31NO — CID 64852160

IUPACN-(cyclohex-3-en-1-ylmethyl)-2,2-dimethyl-3-(2-methylpropoxy)cyclobutan-1-amine
SMILESCC(C)COC1CC(NCC2CC=CCC2)C1(C)C
InChIInChI=1S/C17H31NO/c1-13(2)12-19-16-10-15(17(16,3)4)18-11-14-8-6-5-7-9-14/h5-6,13-16,18H,7-12H2,1-4H3
InChIKeySLAIIEXKQMSHOV-UHFFFAOYSA-N
MW265.44 g/mol
LogP3.77
Rot. Bonds6

About N-(cyclohex-3-en-1-ylmethyl)-2,2-dimethyl-3-(2-methylpropoxy)cyclobutan-1-amine

N-(cyclohex-3-en-1-ylmethyl)-2,2-dimethyl-3-(2-methylpropoxy)cyclobutan-1-amine (PubChem CID 64852160) has the molecular formula C17H31NO and a molecular weight of 265.44 g/mol. Its IUPAC name is N-(cyclohex-3-en-1-ylmethyl)-2,2-dimethyl-3-(2-methylpropoxy)cyclobutan-1-amine.

Molecular Properties

Compound NameN-(cyclohex-3-en-1-ylmethyl)-2,2-dimethyl-3-(2-methylpropoxy)cyclobutan-1-amine
PubChem CID64852160
Molecular FormulaC17H31NO
Molecular Weight265.44 g/mol
Exact Mass265.24
IUPAC NameN-(cyclohex-3-en-1-ylmethyl)-2,2-dimethyl-3-(2-methylpropoxy)cyclobutan-1-amine
SMILESCC(C)COC1CC(NCC2CC=CCC2)C1(C)C
InChIInChI=1S/C17H31NO/c1-13(2)12-19-16-10-15(17(16,3)4)18-11-14-8-6-5-7-9-14/h5-6,13-16,18H,7-12H2,1-4H3
InChIKeySLAIIEXKQMSHOV-UHFFFAOYSA-N
XLogP3.77
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.44
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(cyclohex-3-en-1-ylmethyl)-2,2-dimethyl-3-(2-methylpropoxy)cyclobutan-1-amine?
The IUPAC name of N-(cyclohex-3-en-1-ylmethyl)-2,2-dimethyl-3-(2-methylpropoxy)cyclobutan-1-amine (CID 64852160) is N-(cyclohex-3-en-1-ylmethyl)-2,2-dimethyl-3-(2-methylpropoxy)cyclobutan-1-amine.
What is the SMILES notation for N-(cyclohex-3-en-1-ylmethyl)-2,2-dimethyl-3-(2-methylpropoxy)cyclobutan-1-amine?
The canonical SMILES for N-(cyclohex-3-en-1-ylmethyl)-2,2-dimethyl-3-(2-methylpropoxy)cyclobutan-1-amine is CC(C)COC1CC(NCC2CC=CCC2)C1(C)C.
What is the InChIKey of N-(cyclohex-3-en-1-ylmethyl)-2,2-dimethyl-3-(2-methylpropoxy)cyclobutan-1-amine?
The InChIKey is SLAIIEXKQMSHOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31NO/c1-13(2)12-19-16-10-15(17(16,3)4)18-11-14-8-6-5-7-9-14/h5-6,13-16,18H,7-12H2,1-4H3.
What are the key properties of N-(cyclohex-3-en-1-ylmethyl)-2,2-dimethyl-3-(2-methylpropoxy)cyclobutan-1-amine?
N-(cyclohex-3-en-1-ylmethyl)-2,2-dimethyl-3-(2-methylpropoxy)cyclobutan-1-amine has a molecular weight of 265.44 g/mol, XLogP of 3.77, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohex-3-en-1-ylmethyl)-2,2-dimethyl-3-(2-methylpropoxy)cyclobutan-1-amine is sourced from PubChem (CID 64852160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).