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

C14H25NO — CID 62212634

IUPACN-[cyclohexen-1-yl(oxan-2-yl)methyl]ethanamine
SMILESCCNC(C1=CCCCC1)C1CCCCO1
InChIInChI=1S/C14H25NO/c1-2-15-14(12-8-4-3-5-9-12)13-10-6-7-11-16-13/h8,13-15H,2-7,9-11H2,1H3
InChIKeySCDPUSHWVLTFDE-UHFFFAOYSA-N
MW223.36 g/mol
LogP3.03
Rot. Bonds4

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

N-[cyclohexen-1-yl(oxan-2-yl)methyl]ethanamine (PubChem CID 62212634) has the molecular formula C14H25NO and a molecular weight of 223.36 g/mol. Its IUPAC name is N-[cyclohexen-1-yl(oxan-2-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[cyclohexen-1-yl(oxan-2-yl)methyl]ethanamine
PubChem CID62212634
Molecular FormulaC14H25NO
Molecular Weight223.36 g/mol
Exact Mass223.19
IUPAC NameN-[cyclohexen-1-yl(oxan-2-yl)methyl]ethanamine
SMILESCCNC(C1=CCCCC1)C1CCCCO1
InChIInChI=1S/C14H25NO/c1-2-15-14(12-8-4-3-5-9-12)13-10-6-7-11-16-13/h8,13-15H,2-7,9-11H2,1H3
InChIKeySCDPUSHWVLTFDE-UHFFFAOYSA-N
XLogP3.03
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 53.03
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-2-yl)methyl]ethanamine?
The IUPAC name of N-[cyclohexen-1-yl(oxan-2-yl)methyl]ethanamine (CID 62212634) is N-[cyclohexen-1-yl(oxan-2-yl)methyl]ethanamine.
What is the SMILES notation for N-[cyclohexen-1-yl(oxan-2-yl)methyl]ethanamine?
The canonical SMILES for N-[cyclohexen-1-yl(oxan-2-yl)methyl]ethanamine is CCNC(C1=CCCCC1)C1CCCCO1.
What is the InChIKey of N-[cyclohexen-1-yl(oxan-2-yl)methyl]ethanamine?
The InChIKey is SCDPUSHWVLTFDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO/c1-2-15-14(12-8-4-3-5-9-12)13-10-6-7-11-16-13/h8,13-15H,2-7,9-11H2,1H3.
What are the key properties of N-[cyclohexen-1-yl(oxan-2-yl)methyl]ethanamine?
N-[cyclohexen-1-yl(oxan-2-yl)methyl]ethanamine has a molecular weight of 223.36 g/mol, XLogP of 3.03, 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(oxan-2-yl)methyl]ethanamine is sourced from PubChem (CID 62212634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).