2-cyclohexyl-3-(oxolan-2-yl)-N-propylprop-2-en-1-amine

C16H29NO — CID 115278810

IUPAC2-cyclohexyl-3-(oxolan-2-yl)-N-propylprop-2-en-1-amine
SMILESCCCNCC(=CC1CCCO1)C1CCCCC1
InChIInChI=1S/C16H29NO/c1-2-10-17-13-15(12-16-9-6-11-18-16)14-7-4-3-5-8-14/h12,14,16-17H,2-11,13H2,1H3
InChIKeyCIKLFYYVWINQJE-UHFFFAOYSA-N
MW251.41 g/mol
LogP3.67
Rot. Bonds6

About 2-cyclohexyl-3-(oxolan-2-yl)-N-propylprop-2-en-1-amine

2-cyclohexyl-3-(oxolan-2-yl)-N-propylprop-2-en-1-amine (PubChem CID 115278810) has the molecular formula C16H29NO and a molecular weight of 251.41 g/mol. Its IUPAC name is 2-cyclohexyl-3-(oxolan-2-yl)-N-propylprop-2-en-1-amine.

Molecular Properties

Compound Name2-cyclohexyl-3-(oxolan-2-yl)-N-propylprop-2-en-1-amine
PubChem CID115278810
Molecular FormulaC16H29NO
Molecular Weight251.41 g/mol
Exact Mass251.22
IUPAC Name2-cyclohexyl-3-(oxolan-2-yl)-N-propylprop-2-en-1-amine
SMILESCCCNCC(=CC1CCCO1)C1CCCCC1
InChIInChI=1S/C16H29NO/c1-2-10-17-13-15(12-16-9-6-11-18-16)14-7-4-3-5-8-14/h12,14,16-17H,2-11,13H2,1H3
InChIKeyCIKLFYYVWINQJE-UHFFFAOYSA-N
XLogP3.67
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 ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-3-(oxolan-2-yl)-N-propylprop-2-en-1-amine?
The IUPAC name of 2-cyclohexyl-3-(oxolan-2-yl)-N-propylprop-2-en-1-amine (CID 115278810) is 2-cyclohexyl-3-(oxolan-2-yl)-N-propylprop-2-en-1-amine.
What is the SMILES notation for 2-cyclohexyl-3-(oxolan-2-yl)-N-propylprop-2-en-1-amine?
The canonical SMILES for 2-cyclohexyl-3-(oxolan-2-yl)-N-propylprop-2-en-1-amine is CCCNCC(=CC1CCCO1)C1CCCCC1.
What is the InChIKey of 2-cyclohexyl-3-(oxolan-2-yl)-N-propylprop-2-en-1-amine?
The InChIKey is CIKLFYYVWINQJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO/c1-2-10-17-13-15(12-16-9-6-11-18-16)14-7-4-3-5-8-14/h12,14,16-17H,2-11,13H2,1H3.
What are the key properties of 2-cyclohexyl-3-(oxolan-2-yl)-N-propylprop-2-en-1-amine?
2-cyclohexyl-3-(oxolan-2-yl)-N-propylprop-2-en-1-amine has a molecular weight of 251.41 g/mol, XLogP of 3.67, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-3-(oxolan-2-yl)-N-propylprop-2-en-1-amine is sourced from PubChem (CID 115278810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).