N-[2-(cyclohexen-1-yl)ethyl]-2,2,5,5-tetramethyloxolan-3-amine

C16H29NO — CID 79918662

IUPACN-[2-(cyclohexen-1-yl)ethyl]-2,2,5,5-tetramethyloxolan-3-amine
SMILESCC1(C)CC(NCCC2=CCCCC2)C(C)(C)O1
InChIInChI=1S/C16H29NO/c1-15(2)12-14(16(3,4)18-15)17-11-10-13-8-6-5-7-9-13/h8,14,17H,5-7,9-12H2,1-4H3
InChIKeyIPWNDEJQFPAOOQ-UHFFFAOYSA-N
MW251.41 g/mol
LogP3.81
Rot. Bonds4

About N-[2-(cyclohexen-1-yl)ethyl]-2,2,5,5-tetramethyloxolan-3-amine

N-[2-(cyclohexen-1-yl)ethyl]-2,2,5,5-tetramethyloxolan-3-amine (PubChem CID 79918662) has the molecular formula C16H29NO and a molecular weight of 251.41 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-2,2,5,5-tetramethyloxolan-3-amine.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-2,2,5,5-tetramethyloxolan-3-amine
PubChem CID79918662
Molecular FormulaC16H29NO
Molecular Weight251.41 g/mol
Exact Mass251.22
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-2,2,5,5-tetramethyloxolan-3-amine
SMILESCC1(C)CC(NCCC2=CCCCC2)C(C)(C)O1
InChIInChI=1S/C16H29NO/c1-15(2)12-14(16(3,4)18-15)17-11-10-13-8-6-5-7-9-13/h8,14,17H,5-7,9-12H2,1-4H3
InChIKeyIPWNDEJQFPAOOQ-UHFFFAOYSA-N
XLogP3.81
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.41
LogP ≤ 53.81
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-(cyclohexen-1-yl)ethyl]-2,2,5,5-tetramethyloxolan-3-amine?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-2,2,5,5-tetramethyloxolan-3-amine (CID 79918662) is N-[2-(cyclohexen-1-yl)ethyl]-2,2,5,5-tetramethyloxolan-3-amine.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-2,2,5,5-tetramethyloxolan-3-amine?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-2,2,5,5-tetramethyloxolan-3-amine is CC1(C)CC(NCCC2=CCCCC2)C(C)(C)O1.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-2,2,5,5-tetramethyloxolan-3-amine?
The InChIKey is IPWNDEJQFPAOOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO/c1-15(2)12-14(16(3,4)18-15)17-11-10-13-8-6-5-7-9-13/h8,14,17H,5-7,9-12H2,1-4H3.
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-2,2,5,5-tetramethyloxolan-3-amine?
N-[2-(cyclohexen-1-yl)ethyl]-2,2,5,5-tetramethyloxolan-3-amine has a molecular weight of 251.41 g/mol, XLogP of 3.81, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)ethyl]-2,2,5,5-tetramethyloxolan-3-amine is sourced from PubChem (CID 79918662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).