1-(4-cyclohexa-1,5-dien-1-yloxan-4-yl)-N-methylmethanamine

C13H21NO — CID 143143722

IUPAC1-(4-cyclohexa-1,5-dien-1-yloxan-4-yl)-N-methylmethanamine
SMILESCNCC1(C2=CCCC=C2)CCOCC1
InChIInChI=1S/C13H21NO/c1-14-11-13(7-9-15-10-8-13)12-5-3-2-4-6-12/h3,5-6,14H,2,4,7-11H2,1H3
InChIKeyOWHNZRRIVFCHBL-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.28
Rot. Bonds3

About 1-(4-cyclohexa-1,5-dien-1-yloxan-4-yl)-N-methylmethanamine

1-(4-cyclohexa-1,5-dien-1-yloxan-4-yl)-N-methylmethanamine (PubChem CID 143143722) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is 1-(4-cyclohexa-1,5-dien-1-yloxan-4-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(4-cyclohexa-1,5-dien-1-yloxan-4-yl)-N-methylmethanamine
PubChem CID143143722
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name1-(4-cyclohexa-1,5-dien-1-yloxan-4-yl)-N-methylmethanamine
SMILESCNCC1(C2=CCCC=C2)CCOCC1
InChIInChI=1S/C13H21NO/c1-14-11-13(7-9-15-10-8-13)12-5-3-2-4-6-12/h3,5-6,14H,2,4,7-11H2,1H3
InChIKeyOWHNZRRIVFCHBL-UHFFFAOYSA-N
XLogP2.28
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 137928023
N-methyl-1-[4-[(3Z)-penta-1,3-dien-2-yl]oxan-4-yl]ethenamine
CID 88543125
(9E,11Z,13E)-14-methyl-3-oxa-8-azaspiro[5.8]tetradeca-9,11,13-triene;molecular hydrogen
CID 145312242
4-(Cyclohexa-1,5-dien-1-ylmethyl)-4-(methoxymethyl)piperidine
CID 145601329
N-methyl-2-(oxan-4-ylmethylidene)butan-1-amine
CID 79329418
N,3-dimethyl-2-(oxan-4-ylmethylidene)butan-1-amine
CID 79338609
(E)-N-[(4-methyloxan-4-yl)methyl]pent-3-en-1-amine
CID 104586335
N-[(4-methyloxan-4-yl)methyl]cyclohex-3-en-1-amine
CID 104586369
N-[(4-methyloxan-4-yl)methyl]pent-4-en-1-amine
CID 107302805
1-cyclohex-3-en-1-yl-N-[(4-methyloxan-4-yl)methyl]methanamine
CID 115757096
[4-[(E)-but-2-enyl]oxan-4-yl]methanamine
CID 130514910
(9E,11Z,13E)-14-methyl-3-oxa-8-azaspiro[5.8]tetradeca-9,11,13-triene
CID 145312243

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclohexa-1,5-dien-1-yloxan-4-yl)-N-methylmethanamine?
The IUPAC name of 1-(4-cyclohexa-1,5-dien-1-yloxan-4-yl)-N-methylmethanamine (CID 143143722) is 1-(4-cyclohexa-1,5-dien-1-yloxan-4-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(4-cyclohexa-1,5-dien-1-yloxan-4-yl)-N-methylmethanamine?
The canonical SMILES for 1-(4-cyclohexa-1,5-dien-1-yloxan-4-yl)-N-methylmethanamine is CNCC1(C2=CCCC=C2)CCOCC1.
What is the InChIKey of 1-(4-cyclohexa-1,5-dien-1-yloxan-4-yl)-N-methylmethanamine?
The InChIKey is OWHNZRRIVFCHBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-14-11-13(7-9-15-10-8-13)12-5-3-2-4-6-12/h3,5-6,14H,2,4,7-11H2,1H3.
What are the key properties of 1-(4-cyclohexa-1,5-dien-1-yloxan-4-yl)-N-methylmethanamine?
1-(4-cyclohexa-1,5-dien-1-yloxan-4-yl)-N-methylmethanamine has a molecular weight of 207.32 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclohexa-1,5-dien-1-yloxan-4-yl)-N-methylmethanamine is sourced from PubChem (CID 143143722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).