N-[cyclohexen-1-yl-(2-methyloxolan-3-yl)methyl]ethanamine

C14H25NO — CID 79760373

IUPACN-[cyclohexen-1-yl-(2-methyloxolan-3-yl)methyl]ethanamine
SMILESCCNC(C1=CCCCC1)C1CCOC1C
InChIInChI=1S/C14H25NO/c1-3-15-14(12-7-5-4-6-8-12)13-9-10-16-11(13)2/h7,11,13-15H,3-6,8-10H2,1-2H3
InChIKeyBTSCRUXDUJKSBK-UHFFFAOYSA-N
MW223.36 g/mol
LogP2.89
Rot. Bonds4

About N-[cyclohexen-1-yl-(2-methyloxolan-3-yl)methyl]ethanamine

N-[cyclohexen-1-yl-(2-methyloxolan-3-yl)methyl]ethanamine (PubChem CID 79760373) has the molecular formula C14H25NO and a molecular weight of 223.36 g/mol. Its IUPAC name is N-[cyclohexen-1-yl-(2-methyloxolan-3-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[cyclohexen-1-yl-(2-methyloxolan-3-yl)methyl]ethanamine
PubChem CID79760373
Molecular FormulaC14H25NO
Molecular Weight223.36 g/mol
Exact Mass223.19
IUPAC NameN-[cyclohexen-1-yl-(2-methyloxolan-3-yl)methyl]ethanamine
SMILESCCNC(C1=CCCCC1)C1CCOC1C
InChIInChI=1S/C14H25NO/c1-3-15-14(12-7-5-4-6-8-12)13-9-10-16-11(13)2/h7,11,13-15H,3-6,8-10H2,1-2H3
InChIKeyBTSCRUXDUJKSBK-UHFFFAOYSA-N
XLogP2.89
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 ≤ 52.89
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-(2-methyloxolan-3-yl)methyl]ethanamine?
The IUPAC name of N-[cyclohexen-1-yl-(2-methyloxolan-3-yl)methyl]ethanamine (CID 79760373) is N-[cyclohexen-1-yl-(2-methyloxolan-3-yl)methyl]ethanamine.
What is the SMILES notation for N-[cyclohexen-1-yl-(2-methyloxolan-3-yl)methyl]ethanamine?
The canonical SMILES for N-[cyclohexen-1-yl-(2-methyloxolan-3-yl)methyl]ethanamine is CCNC(C1=CCCCC1)C1CCOC1C.
What is the InChIKey of N-[cyclohexen-1-yl-(2-methyloxolan-3-yl)methyl]ethanamine?
The InChIKey is BTSCRUXDUJKSBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO/c1-3-15-14(12-7-5-4-6-8-12)13-9-10-16-11(13)2/h7,11,13-15H,3-6,8-10H2,1-2H3.
What are the key properties of N-[cyclohexen-1-yl-(2-methyloxolan-3-yl)methyl]ethanamine?
N-[cyclohexen-1-yl-(2-methyloxolan-3-yl)methyl]ethanamine has a molecular weight of 223.36 g/mol, XLogP of 2.89, 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-methyloxolan-3-yl)methyl]ethanamine is sourced from PubChem (CID 79760373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).