N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-2,2-diethyloxan-4-amine

C18H33NO — CID 103277017

IUPACN-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-2,2-diethyloxan-4-amine
SMILESCCC1(CC)CC(NCC2CC(C)=CC(C)C2)CCO1
InChIInChI=1S/C18H33NO/c1-5-18(6-2)12-17(7-8-20-18)19-13-16-10-14(3)9-15(4)11-16/h9,14,16-17,19H,5-8,10-13H2,1-4H3
InChIKeyZYFIWBFZICIIPN-UHFFFAOYSA-N
MW279.47 g/mol
LogP4.31
Rot. Bonds5

About N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-2,2-diethyloxan-4-amine

N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-2,2-diethyloxan-4-amine (PubChem CID 103277017) has the molecular formula C18H33NO and a molecular weight of 279.47 g/mol. Its IUPAC name is N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-2,2-diethyloxan-4-amine.

Molecular Properties

Compound NameN-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-2,2-diethyloxan-4-amine
PubChem CID103277017
Molecular FormulaC18H33NO
Molecular Weight279.47 g/mol
Exact Mass279.26
IUPAC NameN-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-2,2-diethyloxan-4-amine
SMILESCCC1(CC)CC(NCC2CC(C)=CC(C)C2)CCO1
InChIInChI=1S/C18H33NO/c1-5-18(6-2)12-17(7-8-20-18)19-13-16-10-14(3)9-15(4)11-16/h9,14,16-17,19H,5-8,10-13H2,1-4H3
InChIKeyZYFIWBFZICIIPN-UHFFFAOYSA-N
XLogP4.31
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
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'}

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Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-2,2-diethyloxan-4-amine?
The IUPAC name of N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-2,2-diethyloxan-4-amine (CID 103277017) is N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-2,2-diethyloxan-4-amine.
What is the SMILES notation for N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-2,2-diethyloxan-4-amine?
The canonical SMILES for N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-2,2-diethyloxan-4-amine is CCC1(CC)CC(NCC2CC(C)=CC(C)C2)CCO1.
What is the InChIKey of N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-2,2-diethyloxan-4-amine?
The InChIKey is ZYFIWBFZICIIPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33NO/c1-5-18(6-2)12-17(7-8-20-18)19-13-16-10-14(3)9-15(4)11-16/h9,14,16-17,19H,5-8,10-13H2,1-4H3.
What are the key properties of N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-2,2-diethyloxan-4-amine?
N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-2,2-diethyloxan-4-amine has a molecular weight of 279.47 g/mol, XLogP of 4.31, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-2,2-diethyloxan-4-amine is sourced from PubChem (CID 103277017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).