N-[cyclohepten-1-yl(oxan-3-yl)methyl]ethanamine

C15H27NO — CID 63015056

IUPACN-[cyclohepten-1-yl(oxan-3-yl)methyl]ethanamine
SMILESCCNC(C1=CCCCCC1)C1CCCOC1
InChIInChI=1S/C15H27NO/c1-2-16-15(14-10-7-11-17-12-14)13-8-5-3-4-6-9-13/h8,14-16H,2-7,9-12H2,1H3
InChIKeyGUBZCWNUUQTUOT-UHFFFAOYSA-N
MW237.39 g/mol
LogP3.28
Rot. Bonds4

About N-[cyclohepten-1-yl(oxan-3-yl)methyl]ethanamine

N-[cyclohepten-1-yl(oxan-3-yl)methyl]ethanamine (PubChem CID 63015056) has the molecular formula C15H27NO and a molecular weight of 237.39 g/mol. Its IUPAC name is N-[cyclohepten-1-yl(oxan-3-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[cyclohepten-1-yl(oxan-3-yl)methyl]ethanamine
PubChem CID63015056
Molecular FormulaC15H27NO
Molecular Weight237.39 g/mol
Exact Mass237.21
IUPAC NameN-[cyclohepten-1-yl(oxan-3-yl)methyl]ethanamine
SMILESCCNC(C1=CCCCCC1)C1CCCOC1
InChIInChI=1S/C15H27NO/c1-2-16-15(14-10-7-11-17-12-14)13-8-5-3-4-6-9-13/h8,14-16H,2-7,9-12H2,1H3
InChIKeyGUBZCWNUUQTUOT-UHFFFAOYSA-N
XLogP3.28
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 ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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(1S)-4-(methoxymethyl)-N-propyl-1,2,3,4,7,8-hexahydronaphthalen-1-amine
CID 155149784
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N-[cyclohexen-1-yl(oxolan-3-yl)methyl]propan-1-amine
CID 62077835
N-[cyclopenten-1-yl(oxolan-3-yl)methyl]ethanamine
CID 62077856
N-[cyclohexen-1-yl(oxolan-3-yl)methyl]ethanamine
CID 62078856
N-[cyclopenten-1-yl(oxolan-3-yl)methyl]propan-1-amine
CID 62079074
1-(cyclohepten-1-yl)-N-methyl-1-(oxolan-3-yl)methanamine
CID 62079085
1-(cyclopenten-1-yl)-N-methyl-1-(oxolan-3-yl)methanamine
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CID 62080510

Frequently Asked Questions

What is the IUPAC name of N-[cyclohepten-1-yl(oxan-3-yl)methyl]ethanamine?
The IUPAC name of N-[cyclohepten-1-yl(oxan-3-yl)methyl]ethanamine (CID 63015056) is N-[cyclohepten-1-yl(oxan-3-yl)methyl]ethanamine.
What is the SMILES notation for N-[cyclohepten-1-yl(oxan-3-yl)methyl]ethanamine?
The canonical SMILES for N-[cyclohepten-1-yl(oxan-3-yl)methyl]ethanamine is CCNC(C1=CCCCCC1)C1CCCOC1.
What is the InChIKey of N-[cyclohepten-1-yl(oxan-3-yl)methyl]ethanamine?
The InChIKey is GUBZCWNUUQTUOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO/c1-2-16-15(14-10-7-11-17-12-14)13-8-5-3-4-6-9-13/h8,14-16H,2-7,9-12H2,1H3.
What are the key properties of N-[cyclohepten-1-yl(oxan-3-yl)methyl]ethanamine?
N-[cyclohepten-1-yl(oxan-3-yl)methyl]ethanamine has a molecular weight of 237.39 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclohepten-1-yl(oxan-3-yl)methyl]ethanamine is sourced from PubChem (CID 63015056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).