1-(cyclohexen-1-yl)-N-methyl-1-(oxan-2-yl)methanamine

C13H23NO — CID 62212633

IUPAC1-(cyclohexen-1-yl)-N-methyl-1-(oxan-2-yl)methanamine
SMILESCNC(C1=CCCCC1)C1CCCCO1
InChIInChI=1S/C13H23NO/c1-14-13(11-7-3-2-4-8-11)12-9-5-6-10-15-12/h7,12-14H,2-6,8-10H2,1H3
InChIKeyJBEMLAACGIOQPO-UHFFFAOYSA-N
MW209.33 g/mol
LogP2.64
Rot. Bonds3

About 1-(cyclohexen-1-yl)-N-methyl-1-(oxan-2-yl)methanamine

1-(cyclohexen-1-yl)-N-methyl-1-(oxan-2-yl)methanamine (PubChem CID 62212633) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is 1-(cyclohexen-1-yl)-N-methyl-1-(oxan-2-yl)methanamine.

Molecular Properties

Compound Name1-(cyclohexen-1-yl)-N-methyl-1-(oxan-2-yl)methanamine
PubChem CID62212633
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC Name1-(cyclohexen-1-yl)-N-methyl-1-(oxan-2-yl)methanamine
SMILESCNC(C1=CCCCC1)C1CCCCO1
InChIInChI=1S/C13H23NO/c1-14-13(11-7-3-2-4-8-11)12-9-5-6-10-15-12/h7,12-14H,2-6,8-10H2,1H3
InChIKeyJBEMLAACGIOQPO-UHFFFAOYSA-N
XLogP2.64
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 52.64
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

1-(cyclohexen-1-yl)-N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine
CID 103207501
1-(cyclohexen-1-yl)-N-ethyl-2-(2,2,2-trifluoroethoxy)ethanamine
CID 103207503
1-(cyclohepten-1-yl)-N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine
CID 103207520
1-(cyclohexen-1-yl)-N-ethyl-2-(2,2,3,3-tetrafluoropropoxy)ethanamine
CID 106654847
N-[1-(cyclohexen-1-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethyl]propan-1-amine
CID 106654850
N-[1-(cyclohexen-1-yl)-2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine
CID 113788173
1-(cycloocten-1-yl)-N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine
CID 113860664
1-(cyclohexen-1-yl)-N-methyl-2-(2,2,3,3-tetrafluoropropoxy)ethanamine
CID 113860666
2-(4,6-Difluorocyclohexa-1,2,4-trien-1-yl)-5-methoxypiperidine
CID 176446885
1-(Cyclohexen-1-yl)-1-(methylamino)propan-2-ol
CID 123328567
(4Z)-4-propylidene-2-pyrrolidin-2-yloxane-3-thione
CID 123883240
(3aR)-5-(cyclohexen-1-yl)-2-methyl-2,3,3a,4,7,7a-hexahydro-1,3-benzoxazole
CID 138502049

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexen-1-yl)-N-methyl-1-(oxan-2-yl)methanamine?
The IUPAC name of 1-(cyclohexen-1-yl)-N-methyl-1-(oxan-2-yl)methanamine (CID 62212633) is 1-(cyclohexen-1-yl)-N-methyl-1-(oxan-2-yl)methanamine.
What is the SMILES notation for 1-(cyclohexen-1-yl)-N-methyl-1-(oxan-2-yl)methanamine?
The canonical SMILES for 1-(cyclohexen-1-yl)-N-methyl-1-(oxan-2-yl)methanamine is CNC(C1=CCCCC1)C1CCCCO1.
What is the InChIKey of 1-(cyclohexen-1-yl)-N-methyl-1-(oxan-2-yl)methanamine?
The InChIKey is JBEMLAACGIOQPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO/c1-14-13(11-7-3-2-4-8-11)12-9-5-6-10-15-12/h7,12-14H,2-6,8-10H2,1H3.
What are the key properties of 1-(cyclohexen-1-yl)-N-methyl-1-(oxan-2-yl)methanamine?
1-(cyclohexen-1-yl)-N-methyl-1-(oxan-2-yl)methanamine has a molecular weight of 209.33 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexen-1-yl)-N-methyl-1-(oxan-2-yl)methanamine is sourced from PubChem (CID 62212633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).