N-(cyclohex-3-en-1-ylmethyl)-3-ethoxy-2-ethyl-2-methylcyclobutan-1-amine

C16H29NO — CID 65169708

IUPACN-(cyclohex-3-en-1-ylmethyl)-3-ethoxy-2-ethyl-2-methylcyclobutan-1-amine
SMILESCCOC1CC(NCC2CC=CCC2)C1(C)CC
InChIInChI=1S/C16H29NO/c1-4-16(3)14(11-15(16)18-5-2)17-12-13-9-7-6-8-10-13/h6-7,13-15,17H,4-5,8-12H2,1-3H3
InChIKeyMFXCYDSWVFLATK-UHFFFAOYSA-N
MW251.41 g/mol
LogP3.53
Rot. Bonds6

About N-(cyclohex-3-en-1-ylmethyl)-3-ethoxy-2-ethyl-2-methylcyclobutan-1-amine

N-(cyclohex-3-en-1-ylmethyl)-3-ethoxy-2-ethyl-2-methylcyclobutan-1-amine (PubChem CID 65169708) has the molecular formula C16H29NO and a molecular weight of 251.41 g/mol. Its IUPAC name is N-(cyclohex-3-en-1-ylmethyl)-3-ethoxy-2-ethyl-2-methylcyclobutan-1-amine.

Molecular Properties

Compound NameN-(cyclohex-3-en-1-ylmethyl)-3-ethoxy-2-ethyl-2-methylcyclobutan-1-amine
PubChem CID65169708
Molecular FormulaC16H29NO
Molecular Weight251.41 g/mol
Exact Mass251.22
IUPAC NameN-(cyclohex-3-en-1-ylmethyl)-3-ethoxy-2-ethyl-2-methylcyclobutan-1-amine
SMILESCCOC1CC(NCC2CC=CCC2)C1(C)CC
InChIInChI=1S/C16H29NO/c1-4-16(3)14(11-15(16)18-5-2)17-12-13-9-7-6-8-10-13/h6-7,13-15,17H,4-5,8-12H2,1-3H3
InChIKeyMFXCYDSWVFLATK-UHFFFAOYSA-N
XLogP3.53
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.41
LogP ≤ 53.53
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)-3-ethoxy-2-ethyl-2-methylcyclobutan-1-amine?
The IUPAC name of N-(cyclohex-3-en-1-ylmethyl)-3-ethoxy-2-ethyl-2-methylcyclobutan-1-amine (CID 65169708) is N-(cyclohex-3-en-1-ylmethyl)-3-ethoxy-2-ethyl-2-methylcyclobutan-1-amine.
What is the SMILES notation for N-(cyclohex-3-en-1-ylmethyl)-3-ethoxy-2-ethyl-2-methylcyclobutan-1-amine?
The canonical SMILES for N-(cyclohex-3-en-1-ylmethyl)-3-ethoxy-2-ethyl-2-methylcyclobutan-1-amine is CCOC1CC(NCC2CC=CCC2)C1(C)CC.
What is the InChIKey of N-(cyclohex-3-en-1-ylmethyl)-3-ethoxy-2-ethyl-2-methylcyclobutan-1-amine?
The InChIKey is MFXCYDSWVFLATK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO/c1-4-16(3)14(11-15(16)18-5-2)17-12-13-9-7-6-8-10-13/h6-7,13-15,17H,4-5,8-12H2,1-3H3.
What are the key properties of N-(cyclohex-3-en-1-ylmethyl)-3-ethoxy-2-ethyl-2-methylcyclobutan-1-amine?
N-(cyclohex-3-en-1-ylmethyl)-3-ethoxy-2-ethyl-2-methylcyclobutan-1-amine has a molecular weight of 251.41 g/mol, XLogP of 3.53, 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)-3-ethoxy-2-ethyl-2-methylcyclobutan-1-amine is sourced from PubChem (CID 65169708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).