N-[cyclohexen-1-yl(oxan-3-yl)methyl]propan-1-amine

C15H27NO — CID 55150507

IUPACN-[cyclohexen-1-yl(oxan-3-yl)methyl]propan-1-amine
SMILESCCCNC(C1=CCCCC1)C1CCCOC1
InChIInChI=1S/C15H27NO/c1-2-10-16-15(13-7-4-3-5-8-13)14-9-6-11-17-12-14/h7,14-16H,2-6,8-12H2,1H3
InChIKeyCFBGTTXXEXGJCQ-UHFFFAOYSA-N
MW237.39 g/mol
LogP3.28
Rot. Bonds5

About N-[cyclohexen-1-yl(oxan-3-yl)methyl]propan-1-amine

N-[cyclohexen-1-yl(oxan-3-yl)methyl]propan-1-amine (PubChem CID 55150507) has the molecular formula C15H27NO and a molecular weight of 237.39 g/mol. Its IUPAC name is N-[cyclohexen-1-yl(oxan-3-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[cyclohexen-1-yl(oxan-3-yl)methyl]propan-1-amine
PubChem CID55150507
Molecular FormulaC15H27NO
Molecular Weight237.39 g/mol
Exact Mass237.21
IUPAC NameN-[cyclohexen-1-yl(oxan-3-yl)methyl]propan-1-amine
SMILESCCCNC(C1=CCCCC1)C1CCCOC1
InChIInChI=1S/C15H27NO/c1-2-10-16-15(13-7-4-3-5-8-13)14-9-6-11-17-12-14/h7,14-16H,2-6,8-12H2,1H3
InChIKeyCFBGTTXXEXGJCQ-UHFFFAOYSA-N
XLogP3.28
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 53.28
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-[cyclohexen-1-yl(oxan-3-yl)methyl]propan-1-amine?
The IUPAC name of N-[cyclohexen-1-yl(oxan-3-yl)methyl]propan-1-amine (CID 55150507) is N-[cyclohexen-1-yl(oxan-3-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[cyclohexen-1-yl(oxan-3-yl)methyl]propan-1-amine?
The canonical SMILES for N-[cyclohexen-1-yl(oxan-3-yl)methyl]propan-1-amine is CCCNC(C1=CCCCC1)C1CCCOC1.
What is the InChIKey of N-[cyclohexen-1-yl(oxan-3-yl)methyl]propan-1-amine?
The InChIKey is CFBGTTXXEXGJCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO/c1-2-10-16-15(13-7-4-3-5-8-13)14-9-6-11-17-12-14/h7,14-16H,2-6,8-12H2,1H3.
What are the key properties of N-[cyclohexen-1-yl(oxan-3-yl)methyl]propan-1-amine?
N-[cyclohexen-1-yl(oxan-3-yl)methyl]propan-1-amine has a molecular weight of 237.39 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclohexen-1-yl(oxan-3-yl)methyl]propan-1-amine is sourced from PubChem (CID 55150507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).