N-[cyclohexen-1-yl-(2-methyloxan-2-yl)methyl]ethanamine

C15H27NO — CID 106654058

IUPACN-[cyclohexen-1-yl-(2-methyloxan-2-yl)methyl]ethanamine
SMILESCCNC(C1=CCCCC1)C1(C)CCCCO1
InChIInChI=1S/C15H27NO/c1-3-16-14(13-9-5-4-6-10-13)15(2)11-7-8-12-17-15/h9,14,16H,3-8,10-12H2,1-2H3
InChIKeyMFCJZQMYMOCWHD-UHFFFAOYSA-N
MW237.39 g/mol
LogP3.42
Rot. Bonds4

About N-[cyclohexen-1-yl-(2-methyloxan-2-yl)methyl]ethanamine

N-[cyclohexen-1-yl-(2-methyloxan-2-yl)methyl]ethanamine (PubChem CID 106654058) has the molecular formula C15H27NO and a molecular weight of 237.39 g/mol. Its IUPAC name is N-[cyclohexen-1-yl-(2-methyloxan-2-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[cyclohexen-1-yl-(2-methyloxan-2-yl)methyl]ethanamine
PubChem CID106654058
Molecular FormulaC15H27NO
Molecular Weight237.39 g/mol
Exact Mass237.21
IUPAC NameN-[cyclohexen-1-yl-(2-methyloxan-2-yl)methyl]ethanamine
SMILESCCNC(C1=CCCCC1)C1(C)CCCCO1
InChIInChI=1S/C15H27NO/c1-3-16-14(13-9-5-4-6-10-13)15(2)11-7-8-12-17-15/h9,14,16H,3-8,10-12H2,1-2H3
InChIKeyMFCJZQMYMOCWHD-UHFFFAOYSA-N
XLogP3.42
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 ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[2-(Cyclohexen-1-yl)-2-fluoropropyl]morpholine
CID 106655073
3-[2-(Cyclohepten-1-yl)-2-fluoropropyl]morpholine
CID 106655074
3-[2-(Cycloocten-1-yl)-2-fluoropropyl]morpholine
CID 113860683
3,3-Di(cyclohexen-1-yl)morpholine
CID 57287098
3-Oxa-6-azatricyclo[9.4.0.02,7]pentadeca-1,12,14-triene
CID 70497539
(4R)-spiro[2-azabicyclo[2.2.2]oct-5-ene-7,2'-oxane]
CID 89721823
N-[2-[2-[(1R,5R)-3,5-dimethylcyclohex-2-en-1-yl]ethoxy]ethyl]butan-1-amine
CID 164031575
7-Propan-2-yl-3-oxa-9-azabicyclo[3.3.1]non-6-ene
CID 169044766
7-Tert-butyl-3-oxa-9-azabicyclo[3.3.1]non-6-ene
CID 177117316
N-[cyclohexen-1-yl(oxan-2-yl)methyl]propan-1-amine
CID 55048190
N-[cyclohexen-1-yl(oxan-4-yl)methyl]propan-1-amine
CID 55133142
1-(cyclohexen-1-yl)-N-methyl-1-(oxan-2-yl)methanamine
CID 62212633

Frequently Asked Questions

What is the IUPAC name of N-[cyclohexen-1-yl-(2-methyloxan-2-yl)methyl]ethanamine?
The IUPAC name of N-[cyclohexen-1-yl-(2-methyloxan-2-yl)methyl]ethanamine (CID 106654058) is N-[cyclohexen-1-yl-(2-methyloxan-2-yl)methyl]ethanamine.
What is the SMILES notation for N-[cyclohexen-1-yl-(2-methyloxan-2-yl)methyl]ethanamine?
The canonical SMILES for N-[cyclohexen-1-yl-(2-methyloxan-2-yl)methyl]ethanamine is CCNC(C1=CCCCC1)C1(C)CCCCO1.
What is the InChIKey of N-[cyclohexen-1-yl-(2-methyloxan-2-yl)methyl]ethanamine?
The InChIKey is MFCJZQMYMOCWHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO/c1-3-16-14(13-9-5-4-6-10-13)15(2)11-7-8-12-17-15/h9,14,16H,3-8,10-12H2,1-2H3.
What are the key properties of N-[cyclohexen-1-yl-(2-methyloxan-2-yl)methyl]ethanamine?
N-[cyclohexen-1-yl-(2-methyloxan-2-yl)methyl]ethanamine has a molecular weight of 237.39 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclohexen-1-yl-(2-methyloxan-2-yl)methyl]ethanamine is sourced from PubChem (CID 106654058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).