N-[(2-cyclohex-3-en-1-yloxan-3-yl)methyl]propan-2-amine

C15H27NO — CID 79365562

IUPACN-[(2-cyclohex-3-en-1-yloxan-3-yl)methyl]propan-2-amine
SMILESCC(C)NCC1CCCOC1C1CC=CCC1
InChIInChI=1S/C15H27NO/c1-12(2)16-11-14-9-6-10-17-15(14)13-7-4-3-5-8-13/h3-4,12-16H,5-11H2,1-2H3
InChIKeyJSXXQFOLLFMIMV-UHFFFAOYSA-N
MW237.39 g/mol
LogP3.14
Rot. Bonds4

About N-[(2-cyclohex-3-en-1-yloxan-3-yl)methyl]propan-2-amine

N-[(2-cyclohex-3-en-1-yloxan-3-yl)methyl]propan-2-amine (PubChem CID 79365562) has the molecular formula C15H27NO and a molecular weight of 237.39 g/mol. Its IUPAC name is N-[(2-cyclohex-3-en-1-yloxan-3-yl)methyl]propan-2-amine.

Molecular Properties

Compound NameN-[(2-cyclohex-3-en-1-yloxan-3-yl)methyl]propan-2-amine
PubChem CID79365562
Molecular FormulaC15H27NO
Molecular Weight237.39 g/mol
Exact Mass237.21
IUPAC NameN-[(2-cyclohex-3-en-1-yloxan-3-yl)methyl]propan-2-amine
SMILESCC(C)NCC1CCCOC1C1CC=CCC1
InChIInChI=1S/C15H27NO/c1-12(2)16-11-14-9-6-10-17-15(14)13-7-4-3-5-8-13/h3-4,12-16H,5-11H2,1-2H3
InChIKeyJSXXQFOLLFMIMV-UHFFFAOYSA-N
XLogP3.14
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 53.14
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-[(2-cyclohex-3-en-1-yloxan-3-yl)methyl]propan-2-amine?
The IUPAC name of N-[(2-cyclohex-3-en-1-yloxan-3-yl)methyl]propan-2-amine (CID 79365562) is N-[(2-cyclohex-3-en-1-yloxan-3-yl)methyl]propan-2-amine.
What is the SMILES notation for N-[(2-cyclohex-3-en-1-yloxan-3-yl)methyl]propan-2-amine?
The canonical SMILES for N-[(2-cyclohex-3-en-1-yloxan-3-yl)methyl]propan-2-amine is CC(C)NCC1CCCOC1C1CC=CCC1.
What is the InChIKey of N-[(2-cyclohex-3-en-1-yloxan-3-yl)methyl]propan-2-amine?
The InChIKey is JSXXQFOLLFMIMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO/c1-12(2)16-11-14-9-6-10-17-15(14)13-7-4-3-5-8-13/h3-4,12-16H,5-11H2,1-2H3.
What are the key properties of N-[(2-cyclohex-3-en-1-yloxan-3-yl)methyl]propan-2-amine?
N-[(2-cyclohex-3-en-1-yloxan-3-yl)methyl]propan-2-amine has a molecular weight of 237.39 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-cyclohex-3-en-1-yloxan-3-yl)methyl]propan-2-amine is sourced from PubChem (CID 79365562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).